ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

C20H25N3OS — CID 153338927

IUPACethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCC.CC.Cc1ccc(-c2csc(NC(=O)c3ccccn3)n2)cc1
InChIInChI=1S/C16H13N3OS.2C2H6/c1-11-5-7-12(8-6-11)14-10-21-16(18-14)19-15(20)13-4-2-3-9-17-13;2*1-2/h2-10H,1H3,(H,18,19,20);2*1-2H3
InChIKeyWZHISFFSFQOHTF-UHFFFAOYSA-N
MW355.51 g/mol
LogP5.82
Rot. Bonds3

About ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 153338927) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Nameethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID153338927
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Nameethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCC.CC.Cc1ccc(-c2csc(NC(=O)c3ccccn3)n2)cc1
InChIInChI=1S/C16H13N3OS.2C2H6/c1-11-5-7-12(8-6-11)14-10-21-16(18-14)19-15(20)13-4-2-3-9-17-13;2*1-2/h2-10H,1H3,(H,18,19,20);2*1-2H3
InChIKeyWZHISFFSFQOHTF-UHFFFAOYSA-N
XLogP5.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.51
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 16619036
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 25259755
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 39016403
methane;4-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 158194768
5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 16953644
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 153338934
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 31948630
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide
CID 56930773
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 4968210
3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2562898
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 46603699
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-pyridin-2-ylsulfanylpropanamide
CID 23833216

Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 153338927) is ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is CC.CC.Cc1ccc(-c2csc(NC(=O)c3ccccn3)n2)cc1.
What is the InChIKey of ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is WZHISFFSFQOHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS.2C2H6/c1-11-5-7-12(8-6-11)14-10-21-16(18-14)19-15(20)13-4-2-3-9-17-13;2*1-2/h2-10H,1H3,(H,18,19,20);2*1-2H3.
What are the key properties of ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 355.51 g/mol, XLogP of 5.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 153338927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).