4-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide

C15H13N3OS2 — CID 91630266

IUPAC4-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCc1cccnc1-c1ccsc1
InChIInChI=1S/C15H13N3OS2/c1-10-14(21-9-18-10)15(19)17-7-11-3-2-5-16-13(11)12-4-6-20-8-12/h2-6,8-9H,7H2,1H3,(H,17,19)
InChIKeyZQRSRNVFQDTGLS-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.51
Rot. Bonds4

About 4-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 91630266) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID91630266
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC Name4-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCc1cccnc1-c1ccsc1
InChIInChI=1S/C15H13N3OS2/c1-10-14(21-9-18-10)15(19)17-7-11-3-2-5-16-13(11)12-4-6-20-8-12/h2-6,8-9H,7H2,1H3,(H,17,19)
InChIKeyZQRSRNVFQDTGLS-UHFFFAOYSA-N
XLogP3.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 91630166
1,3,5-trimethyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 91630267
4-bromo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 121177843
4-(dimethylamino)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 121177628
6-ethoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 91630264
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 121177783
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]quinoxaline-2-carboxamide
CID 121177637
3-(3-methylthiophen-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]propanamide
CID 121177697
2-bromo-5-methoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 91630201
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 91630191
6-(2-methylpropoxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 121177832
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-6-carboxamide
CID 121177736

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide (CID 91630266) is 4-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCc1cccnc1-c1ccsc1.
What is the InChIKey of 4-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ZQRSRNVFQDTGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS2/c1-10-14(21-9-18-10)15(19)17-7-11-3-2-5-16-13(11)12-4-6-20-8-12/h2-6,8-9H,7H2,1H3,(H,17,19).
What are the key properties of 4-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91630266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).