1-[(3,5-dimethoxyphenyl)methyl]-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea

C16H21N3O3S — CID 22559618

IUPAC1-[(3,5-dimethoxyphenyl)methyl]-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
SMILESCOc1cc(CNC(=O)Nc2ncc(C(C)C)s2)cc(OC)c1
InChIInChI=1S/C16H21N3O3S/c1-10(2)14-9-18-16(23-14)19-15(20)17-8-11-5-12(21-3)7-13(6-11)22-4/h5-7,9-10H,8H2,1-4H3,(H2,17,18,19,20)
InChIKeyIMYAABAPWPKJFZ-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.61
Rot. Bonds6

About 1-[(3,5-dimethoxyphenyl)methyl]-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea

1-[(3,5-dimethoxyphenyl)methyl]-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea (PubChem CID 22559618) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methyl]-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)methyl]-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
PubChem CID22559618
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name1-[(3,5-dimethoxyphenyl)methyl]-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
SMILESCOc1cc(CNC(=O)Nc2ncc(C(C)C)s2)cc(OC)c1
InChIInChI=1S/C16H21N3O3S/c1-10(2)14-9-18-16(23-14)19-15(20)17-8-11-5-12(21-3)7-13(6-11)22-4/h5-7,9-10H,8H2,1-4H3,(H2,17,18,19,20)
InChIKeyIMYAABAPWPKJFZ-UHFFFAOYSA-N
XLogP3.61
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170540
1-[(3,4-difluorophenyl)methyl]-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 22559493
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea
CID 3367355
N-[(3,5-dimethoxyphenyl)methyl]-2-methylpropanamide
CID 22954105
3,4-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170799
methane;1-[(4-methoxyphenyl)methyl]-3-(5-nitro-1,3-thiazol-2-yl)urea
CID 142331235
2-(7-methoxy-2-oxochromen-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 22170797
1-(4-methylphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 22559570
1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea
CID 23819690
(3,5-dimethoxyphenyl)methylcarbamic acid
CID 67370524
methyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 22170458

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea (CID 22559618) is 1-[(3,5-dimethoxyphenyl)methyl]-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)methyl]-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)methyl]-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea is COc1cc(CNC(=O)Nc2ncc(C(C)C)s2)cc(OC)c1.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)methyl]-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea?
The InChIKey is IMYAABAPWPKJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-10(2)14-9-18-16(23-14)19-15(20)17-8-11-5-12(21-3)7-13(6-11)22-4/h5-7,9-10H,8H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 1-[(3,5-dimethoxyphenyl)methyl]-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea?
1-[(3,5-dimethoxyphenyl)methyl]-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea has a molecular weight of 335.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxyphenyl)methyl]-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 22559618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).