1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(naphthalen-1-ylmethyl)urea

C17H17N3OS — CID 87008976

IUPAC1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(naphthalen-1-ylmethyl)urea
SMILESCc1csc(NC(=O)N(C)Cc2cccc3ccccc23)n1
InChIInChI=1S/C17H17N3OS/c1-12-11-22-16(18-12)19-17(21)20(2)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,11H,10H2,1-2H3,(H,18,19,21)
InChIKeyGFKFAZBQUBAZPB-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.27
Rot. Bonds3

About 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(naphthalen-1-ylmethyl)urea

1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(naphthalen-1-ylmethyl)urea (PubChem CID 87008976) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(naphthalen-1-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(naphthalen-1-ylmethyl)urea
PubChem CID87008976
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(naphthalen-1-ylmethyl)urea
SMILESCc1csc(NC(=O)N(C)Cc2cccc3ccccc23)n1
InChIInChI=1S/C17H17N3OS/c1-12-11-22-16(18-12)19-17(21)20(2)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,11H,10H2,1-2H3,(H,18,19,21)
InChIKeyGFKFAZBQUBAZPB-UHFFFAOYSA-N
XLogP4.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 86986794
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51185664
3-[[benzyl(methyl)carbamoyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 60577555
N,N-dimethyl-3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]benzamide
CID 55816812
N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide
CID 115193849
2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzoic acid
CID 104601339
2-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
CID 47841065
2-(1-benzofuran-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110463883
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]butanamide
CID 74654559
2-N,6-N-bis(4-methyl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 19684989
1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47194248
N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N'-phenyloxamide
CID 108519268

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(naphthalen-1-ylmethyl)urea?
The IUPAC name of 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(naphthalen-1-ylmethyl)urea (CID 87008976) is 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(naphthalen-1-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(naphthalen-1-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(naphthalen-1-ylmethyl)urea is Cc1csc(NC(=O)N(C)Cc2cccc3ccccc23)n1.
What is the InChIKey of 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(naphthalen-1-ylmethyl)urea?
The InChIKey is GFKFAZBQUBAZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-12-11-22-16(18-12)19-17(21)20(2)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,11H,10H2,1-2H3,(H,18,19,21).
What are the key properties of 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(naphthalen-1-ylmethyl)urea?
1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(naphthalen-1-ylmethyl)urea has a molecular weight of 311.41 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(naphthalen-1-ylmethyl)urea is sourced from PubChem (CID 87008976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).