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

C12H15N3OS — CID 110474283

IUPAC2,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2cccn2C)c(C)s1
InChIInChI=1S/C12H15N3OS/c1-8-11(14-9(2)17-8)12(16)13-7-10-5-4-6-15(10)3/h4-6H,7H2,1-3H3,(H,13,16)
InChIKeyVWOOSPNXLDMKSZ-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.03
Rot. Bonds3

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

2,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 110474283) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID110474283
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2cccn2C)c(C)s1
InChIInChI=1S/C12H15N3OS/c1-8-11(14-9(2)17-8)12(16)13-7-10-5-4-6-15(10)3/h4-6H,7H2,1-3H3,(H,13,16)
InChIKeyVWOOSPNXLDMKSZ-UHFFFAOYSA-N
XLogP2.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 110474082
N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465518
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110472049
2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103755664
2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 103713795
2-methyl-2-(methylamino)-N-[(1-methylpyrrol-2-yl)methyl]propanamide
CID 106416600
N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465620
N-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide
CID 110471197
methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
CID 103713450
N-[(1-methylpyrrol-2-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide
CID 110472606
5-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyrazine-2-carboxamide
CID 107257938
4-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103873581

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide (CID 110474283) is 2,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCc2cccn2C)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VWOOSPNXLDMKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-11(14-9(2)17-8)12(16)13-7-10-5-4-6-15(10)3/h4-6H,7H2,1-3H3,(H,13,16).
What are the key properties of 2,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
2,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110474283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).