1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea

C17H18N6OS — CID 151755824

IUPAC1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea
SMILESCNc1nccc(-c2sc(NC(=O)Nc3ccc(C)cc3)nc2C)n1
InChIInChI=1S/C17H18N6OS/c1-10-4-6-12(7-5-10)21-16(24)23-17-20-11(2)14(25-17)13-8-9-19-15(18-3)22-13/h4-9H,1-3H3,(H,18,19,22)(H2,20,21,23,24)
InChIKeyRPMYUTNCPUHAAF-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.90
Rot. Bonds4

About 1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea

1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea (PubChem CID 151755824) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is 1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea
PubChem CID151755824
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC Name1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea
SMILESCNc1nccc(-c2sc(NC(=O)Nc3ccc(C)cc3)nc2C)n1
InChIInChI=1S/C17H18N6OS/c1-10-4-6-12(7-5-10)21-16(24)23-17-20-11(2)14(25-17)13-8-9-19-15(18-3)22-13/h4-9H,1-3H3,(H,18,19,22)(H2,20,21,23,24)
InChIKeyRPMYUTNCPUHAAF-UHFFFAOYSA-N
XLogP3.90
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]urea
CID 175846540
1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(3-propan-2-ylphenyl)urea
CID 155669052
N,4-dimethyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897397
methyl-[4-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]carbamic acid
CID 87366230
4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 155315773
5-(2-chloropyrimidin-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 117273149
N-[5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 87365300
N,4-dimethyl-5-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 143143329
N-[5-[2-(4-chloroanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]formamide
CID 142894175
1-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea
CID 87306595
4-methyl-2-[(4-methylphenyl)carbamoylamino]-N-propyl-1,3-thiazole-5-carboxamide
CID 16897288
N-(3,4-dimethylphenyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897357

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea (CID 151755824) is 1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea is CNc1nccc(-c2sc(NC(=O)Nc3ccc(C)cc3)nc2C)n1.
What is the InChIKey of 1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea?
The InChIKey is RPMYUTNCPUHAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c1-10-4-6-12(7-5-10)21-16(24)23-17-20-11(2)14(25-17)13-8-9-19-15(18-3)22-13/h4-9H,1-3H3,(H,18,19,22)(H2,20,21,23,24).
What are the key properties of 1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea?
1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea has a molecular weight of 354.44 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 151755824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).