N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide

C19H18N4O2S — CID 86995839

IUPACN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide
SMILESCc1nc(-c2ccc(NC(=O)C(=O)NC(C)c3ccncc3)cc2)cs1
InChIInChI=1S/C19H18N4O2S/c1-12(14-7-9-20-10-8-14)21-18(24)19(25)23-16-5-3-15(4-6-16)17-11-26-13(2)22-17/h3-12H,1-2H3,(H,21,24)(H,23,25)
InChIKeyUUKBOCAOQJWGGD-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.33
Rot. Bonds4

About N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide (PubChem CID 86995839) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide
PubChem CID86995839
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide
SMILESCc1nc(-c2ccc(NC(=O)C(=O)NC(C)c3ccncc3)cc2)cs1
InChIInChI=1S/C19H18N4O2S/c1-12(14-7-9-20-10-8-14)21-18(24)19(25)23-16-5-3-15(4-6-16)17-11-26-13(2)22-17/h3-12H,1-2H3,(H,21,24)(H,23,25)
InChIKeyUUKBOCAOQJWGGD-UHFFFAOYSA-N
XLogP3.33
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
CID 42936679
2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 55096711
N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]oxamide
CID 86881173
methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108727310
N'-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(2-propan-2-ylcyclohexyl)oxamide
CID 86888698
1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea
CID 45147289
(2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25407937
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazine-2-carboxamide
CID 18090488
3-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
CID 119694022
2-amino-4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61273999
(2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61274193
2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 51239098

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide?
The IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide (CID 86995839) is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide.
What is the SMILES notation for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide?
The canonical SMILES for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide is Cc1nc(-c2ccc(NC(=O)C(=O)NC(C)c3ccncc3)cc2)cs1.
What is the InChIKey of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide?
The InChIKey is UUKBOCAOQJWGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-12(14-7-9-20-10-8-14)21-18(24)19(25)23-16-5-3-15(4-6-16)17-11-26-13(2)22-17/h3-12H,1-2H3,(H,21,24)(H,23,25).
What are the key properties of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide?
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide has a molecular weight of 366.45 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide is sourced from PubChem (CID 86995839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).