N-[(1-methylpyrrol-2-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide

C11H13N3OS — CID 110472606

IUPACN-[(1-methylpyrrol-2-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide
SMILESCn1cccc1CNC(=O)Cc1cscn1
InChIInChI=1S/C11H13N3OS/c1-14-4-2-3-10(14)6-12-11(15)5-9-7-16-8-13-9/h2-4,7-8H,5-6H2,1H3,(H,12,15)
InChIKeyGGSLRZVZPGNISM-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.34
Rot. Bonds4

About N-[(1-methylpyrrol-2-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide

N-[(1-methylpyrrol-2-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide (PubChem CID 110472606) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide
PubChem CID110472606
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide
SMILESCn1cccc1CNC(=O)Cc1cscn1
InChIInChI=1S/C11H13N3OS/c1-14-4-2-3-10(14)6-12-11(15)5-9-7-16-8-13-9/h2-4,7-8H,5-6H2,1H3,(H,12,15)
InChIKeyGGSLRZVZPGNISM-UHFFFAOYSA-N
XLogP1.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-oxo-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 136523952
N-ethyl-2-(1,3-thiazol-4-yl)acetamide
CID 110462780
N-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide
CID 110471197
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 110474082
2-(ethylamino)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 106416598
2-(2-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49346575
2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103755664
4-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]butanamide
CID 106423340
2-(1,3-thiazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 155969654
methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
CID 103713450
N-[1-(1-methylimidazol-2-yl)ethyl]-2-(1,3-thiazol-4-yl)acetamide
CID 110472636
2-(1,3-thiazol-4-yl)acetohydrazide
CID 53297918

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide (CID 110472606) is N-[(1-methylpyrrol-2-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide is Cn1cccc1CNC(=O)Cc1cscn1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide?
The InChIKey is GGSLRZVZPGNISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-14-4-2-3-10(14)6-12-11(15)5-9-7-16-8-13-9/h2-4,7-8H,5-6H2,1H3,(H,12,15).
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide?
N-[(1-methylpyrrol-2-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide has a molecular weight of 235.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 110472606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).