4-methyl-2-(methylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide

C14H17N3OS — CID 110386327

IUPAC4-methyl-2-(methylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(C)c(C(=O)NC(C)c2ccccc2)s1
InChIInChI=1S/C14H17N3OS/c1-9(11-7-5-4-6-8-11)16-13(18)12-10(2)17-14(15-3)19-12/h4-9H,1-3H3,(H,15,17)(H,16,18)
InChIKeyJSZKYLPPWWTEIW-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.98
Rot. Bonds4

About 4-methyl-2-(methylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide

4-methyl-2-(methylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110386327) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-methyl-2-(methylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(methylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
PubChem CID110386327
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name4-methyl-2-(methylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(C)c(C(=O)NC(C)c2ccccc2)s1
InChIInChI=1S/C14H17N3OS/c1-9(11-7-5-4-6-8-11)16-13(18)12-10(2)17-14(15-3)19-12/h4-9H,1-3H3,(H,15,17)(H,16,18)
InChIKeyJSZKYLPPWWTEIW-UHFFFAOYSA-N
XLogP2.98
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
4-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 16897031
2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 95113696
4-methyl-2-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide
CID 39966458
2-(methoxymethyl)-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374805
2-[2-(4-hydroxyphenyl)ethynyl]-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 70930832
4-amino-N-(1-phenylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667931
4-amino-N-[1-(4-methoxyphenyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116671117
2-(2-ethylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 95394541
2,4-dimethyl-N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide
CID 92597751
4-methyl-2-(morpholin-4-ylmethyl)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110387457
2-[(3,4-dimethylphenoxy)methyl]-4-methyl-N-[(1S)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 97047072

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(methylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide (CID 110386327) is 4-methyl-2-(methylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(methylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(methylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide is CNc1nc(C)c(C(=O)NC(C)c2ccccc2)s1.
What is the InChIKey of 4-methyl-2-(methylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is JSZKYLPPWWTEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9(11-7-5-4-6-8-11)16-13(18)12-10(2)17-14(15-3)19-12/h4-9H,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 4-methyl-2-(methylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-(methylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110386327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).