1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea

C12H13N3O3S — CID 108867903

IUPAC1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea
SMILESCOc1cccc(OC)c1NC(=O)Nc1nccs1
InChIInChI=1S/C12H13N3O3S/c1-17-8-4-3-5-9(18-2)10(8)14-11(16)15-12-13-6-7-19-12/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyVBDGGCYHBKUWAN-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.80
Rot. Bonds4

About 1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea

1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea (PubChem CID 108867903) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea
PubChem CID108867903
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea
SMILESCOc1cccc(OC)c1NC(=O)Nc1nccs1
InChIInChI=1S/C12H13N3O3S/c1-17-8-4-3-5-9(18-2)10(8)14-11(16)15-12-13-6-7-19-12/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyVBDGGCYHBKUWAN-UHFFFAOYSA-N
XLogP2.80
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361063
1-[2-(2,3-dimethoxyphenoxy)-5-methoxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 59732942
1-[2-(2,3-dimethoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea
CID 59733062
1-[(1R)-1-(2-methoxyphenyl)propyl]-3-(1,3-thiazol-2-yl)urea
CID 51944210
1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59725734
2-(2-methoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 110439598
N-[(2-methoxyphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 2926552
1-dimethoxyphosphoryl-3-(1,3-thiazol-2-yl)urea
CID 4904044
1-[2-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 21092461
N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide
CID 47148362
2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 41259077
1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea
CID 108867921

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea (CID 108867903) is 1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea is COc1cccc(OC)c1NC(=O)Nc1nccs1.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea?
The InChIKey is VBDGGCYHBKUWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-17-8-4-3-5-9(18-2)10(8)14-11(16)15-12-13-6-7-19-12/h3-7H,1-2H3,(H2,13,14,15,16).
What are the key properties of 1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea?
1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea has a molecular weight of 279.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 108867903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).