(1Z)-1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-λ4-sulfanylidene]-3-[4-(difluoromethoxy)-2-ethyl-6-propan-2-ylphenyl]urea

C19H26F2N4O3S2 — CID 137453299

IUPAC(1Z)-1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-λ4-sulfanylidene]-3-[4-(difluoromethoxy)-2-ethyl-6-propan-2-ylphenyl]urea
SMILESCCc1cc(OC(F)F)cc(C(C)C)c1NC(=O)/N=[S@@](\N)c1cnc(C(C)(C)O)s1
InChIInChI=1S/C19H26F2N4O3S2/c1-6-11-7-12(28-17(20)21)8-13(10(2)3)15(11)24-18(26)25-30(22)14-9-23-16(29-14)19(4,5)27/h7-10,17,27H,6H2,1-5H3,(H3,22,24,25,26)/t30-/m1/s1
InChIKeyUUUXHAYRFFLJDW-SSEXGKCCSA-N
MW460.57 g/mol
LogP4.92
Rot. Bonds7

About (1Z)-1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-λ4-sulfanylidene]-3-[4-(difluoromethoxy)-2-ethyl-6-propan-2-ylphenyl]urea

(1Z)-1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-λ4-sulfanylidene]-3-[4-(difluoromethoxy)-2-ethyl-6-propan-2-ylphenyl]urea (PubChem CID 137453299) has the molecular formula C19H26F2N4O3S2 and a molecular weight of 460.57 g/mol. Its IUPAC name is (1Z)-1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-λ4-sulfanylidene]-3-[4-(difluoromethoxy)-2-ethyl-6-propan-2-ylphenyl]urea.

Molecular Properties

Compound Name(1Z)-1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-λ4-sulfanylidene]-3-[4-(difluoromethoxy)-2-ethyl-6-propan-2-ylphenyl]urea
PubChem CID137453299
Molecular FormulaC19H26F2N4O3S2
Molecular Weight460.57 g/mol
Exact Mass460.14
IUPAC Name(1Z)-1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-λ4-sulfanylidene]-3-[4-(difluoromethoxy)-2-ethyl-6-propan-2-ylphenyl]urea
SMILESCCc1cc(OC(F)F)cc(C(C)C)c1NC(=O)/N=[S@@](\N)c1cnc(C(C)(C)O)s1
InChIInChI=1S/C19H26F2N4O3S2/c1-6-11-7-12(28-17(20)21)8-13(10(2)3)15(11)24-18(26)25-30(22)14-9-23-16(29-14)19(4,5)27/h7-10,17,27H,6H2,1-5H3,(H3,22,24,25,26)/t30-/m1/s1
InChIKeyUUUXHAYRFFLJDW-SSEXGKCCSA-N
XLogP4.92
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (1Z)-1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-λ4-sulfanylidene]-3-[4-(difluoromethoxy)-2-ethyl-6-propan-2-ylphenyl]urea with MolForge

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Related Compounds

1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-[4-(difluoromethoxy)-2-methyl-6-propan-2-ylphenyl]urea
CID 146610605
1-[amino-[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-oxo-λ6-sulfanylidene]-3-[4-(difluoromethoxy)-2-methyl-6-propan-2-ylphenyl]urea
CID 146515065
1-[4-(difluoromethoxy)-2-[2-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]amino]cyclopropyl]-6-propan-2-ylphenyl]-3-sulfinylurea
CID 166894618
2-[5-(S-amino-N-methylsulfinimidoyl)-4-methyl-1,3-thiazol-2-yl]propan-2-ol;2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]acetaldehyde
CID 153389714
N-[amino-[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-oxo-λ6-sulfanylidene]-2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]acetamide
CID 159393020
2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]-N-[[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]sulfonimidoyl]acetamide
CID 166664924
4-(difluoromethoxy)-2,6-di(propan-2-yl)benzamide
CID 151521559
1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-[2,4-di(propan-2-yl)-3-pyridinyl]urea
CID 146618112
N-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[8-(difluoromethoxy)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]acetamide
CID 157087051
2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinamide;(7-oxo-2,3,5,6-tetrahydro-1H-s-indacen-4-yl)urea
CID 142522743
N-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[4-cyano-2,6-di(propan-2-yl)phenyl]acetamide
CID 158966088
1-[amino-[4-[(dimethylamino)methyl]phenyl]-oxo-λ6-sulfanylidene]-3-[2-cyclopropyl-4-(difluoromethoxy)-6-propan-2-ylphenyl]urea;sulfane
CID 159652747

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-λ4-sulfanylidene]-3-[4-(difluoromethoxy)-2-ethyl-6-propan-2-ylphenyl]urea?
The IUPAC name of (1Z)-1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-λ4-sulfanylidene]-3-[4-(difluoromethoxy)-2-ethyl-6-propan-2-ylphenyl]urea (CID 137453299) is (1Z)-1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-λ4-sulfanylidene]-3-[4-(difluoromethoxy)-2-ethyl-6-propan-2-ylphenyl]urea.
What is the SMILES notation for (1Z)-1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-λ4-sulfanylidene]-3-[4-(difluoromethoxy)-2-ethyl-6-propan-2-ylphenyl]urea?
The canonical SMILES for (1Z)-1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-λ4-sulfanylidene]-3-[4-(difluoromethoxy)-2-ethyl-6-propan-2-ylphenyl]urea is CCc1cc(OC(F)F)cc(C(C)C)c1NC(=O)/N=[S@@](\N)c1cnc(C(C)(C)O)s1.
What is the InChIKey of (1Z)-1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-λ4-sulfanylidene]-3-[4-(difluoromethoxy)-2-ethyl-6-propan-2-ylphenyl]urea?
The InChIKey is UUUXHAYRFFLJDW-SSEXGKCCSA-N. The full InChI is InChI=1S/C19H26F2N4O3S2/c1-6-11-7-12(28-17(20)21)8-13(10(2)3)15(11)24-18(26)25-30(22)14-9-23-16(29-14)19(4,5)27/h7-10,17,27H,6H2,1-5H3,(H3,22,24,25,26)/t30-/m1/s1.
What are the key properties of (1Z)-1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-λ4-sulfanylidene]-3-[4-(difluoromethoxy)-2-ethyl-6-propan-2-ylphenyl]urea?
(1Z)-1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-λ4-sulfanylidene]-3-[4-(difluoromethoxy)-2-ethyl-6-propan-2-ylphenyl]urea has a molecular weight of 460.57 g/mol, XLogP of 4.92, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-λ4-sulfanylidene]-3-[4-(difluoromethoxy)-2-ethyl-6-propan-2-ylphenyl]urea is sourced from PubChem (CID 137453299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).