1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-5-yl)urea

C19H26N4O3S2 — CID 146610641

IUPAC1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-5-yl)urea
SMILESCC(C)c1cc2c(cc1NC(=O)N=S(N)(=O)c1cnc(C(C)(C)O)s1)CCC2
InChIInChI=1S/C19H26N4O3S2/c1-11(2)14-8-12-6-5-7-13(12)9-15(14)22-18(24)23-28(20,26)16-10-21-17(27-16)19(3,4)25/h8-11,25H,5-7H2,1-4H3,(H3,20,22,23,24,26)
InChIKeyQZISGEWKLUARBA-UHFFFAOYSA-N
MW422.58 g/mol
LogP3.92
Rot. Bonds4

About 1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-5-yl)urea

1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-5-yl)urea (PubChem CID 146610641) has the molecular formula C19H26N4O3S2 and a molecular weight of 422.58 g/mol. Its IUPAC name is 1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-5-yl)urea.

Molecular Properties

Compound Name1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-5-yl)urea
PubChem CID146610641
Molecular FormulaC19H26N4O3S2
Molecular Weight422.58 g/mol
Exact Mass422.14
IUPAC Name1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-5-yl)urea
SMILESCC(C)c1cc2c(cc1NC(=O)N=S(N)(=O)c1cnc(C(C)(C)O)s1)CCC2
InChIInChI=1S/C19H26N4O3S2/c1-11(2)14-8-12-6-5-7-13(12)9-15(14)22-18(24)23-28(20,26)16-10-21-17(27-16)19(3,4)25/h8-11,25H,5-7H2,1-4H3,(H3,20,22,23,24,26)
InChIKeyQZISGEWKLUARBA-UHFFFAOYSA-N
XLogP3.92
TPSA117.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-5-yl)urea?
The IUPAC name of 1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-5-yl)urea (CID 146610641) is 1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-5-yl)urea.
What is the SMILES notation for 1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-5-yl)urea?
The canonical SMILES for 1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-5-yl)urea is CC(C)c1cc2c(cc1NC(=O)N=S(N)(=O)c1cnc(C(C)(C)O)s1)CCC2.
What is the InChIKey of 1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-5-yl)urea?
The InChIKey is QZISGEWKLUARBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S2/c1-11(2)14-8-12-6-5-7-13(12)9-15(14)22-18(24)23-28(20,26)16-10-21-17(27-16)19(3,4)25/h8-11,25H,5-7H2,1-4H3,(H3,20,22,23,24,26).
What are the key properties of 1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-5-yl)urea?
1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-5-yl)urea has a molecular weight of 422.58 g/mol, XLogP of 3.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-5-yl)urea is sourced from PubChem (CID 146610641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).