1-(4-methyl-1,3-thiazol-2-yl)-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea

C16H21N3O2S — CID 86989123

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
SMILESCc1csc(NC(=O)NC(C)c2cccc(OC(C)C)c2)n1
InChIInChI=1S/C16H21N3O2S/c1-10(2)21-14-7-5-6-13(8-14)12(4)18-15(20)19-16-17-11(3)9-22-16/h5-10,12H,1-4H3,(H2,17,18,19,20)
InChIKeyJEVJGFGZDXCAAS-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.12
Rot. Bonds5

About 1-(4-methyl-1,3-thiazol-2-yl)-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea

1-(4-methyl-1,3-thiazol-2-yl)-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea (PubChem CID 86989123) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
PubChem CID86989123
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
SMILESCc1csc(NC(=O)NC(C)c2cccc(OC(C)C)c2)n1
InChIInChI=1S/C16H21N3O2S/c1-10(2)21-14-7-5-6-13(8-14)12(4)18-15(20)19-16-17-11(3)9-22-16/h5-10,12H,1-4H3,(H2,17,18,19,20)
InChIKeyJEVJGFGZDXCAAS-UHFFFAOYSA-N
XLogP4.12
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-1-phenylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47194232
1-[1-(2-bromophenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47194279
N-(4-methyl-1,3-thiazol-2-yl)-N'-(1-phenylethyl)oxamide
CID 44997308
2-(methylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 43705705
N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4162363
1-(2,2-dimethyl-1-phenylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 78892751
5-iodo-N-[1-(3-propan-2-yloxyphenyl)ethyl]thiophene-3-carboxamide
CID 78949901
(2R)-2-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 54995688
N-[1-(3-propan-2-yloxyphenyl)ethyl]-1,2,5-thiadiazole-3-carboxamide
CID 47262615
N-(4-methyl-1,3-thiazol-2-yl)-4-(3-propan-2-ylphenoxy)piperidine-1-carboxamide
CID 25052527
2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 62729345
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]urea
CID 95325838

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea (CID 86989123) is 1-(4-methyl-1,3-thiazol-2-yl)-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea is Cc1csc(NC(=O)NC(C)c2cccc(OC(C)C)c2)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea?
The InChIKey is JEVJGFGZDXCAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-10(2)21-14-7-5-6-13(8-14)12(4)18-15(20)19-16-17-11(3)9-22-16/h5-10,12H,1-4H3,(H2,17,18,19,20).
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea?
1-(4-methyl-1,3-thiazol-2-yl)-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea has a molecular weight of 319.43 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea is sourced from PubChem (CID 86989123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).