N-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]acetamide

C9H9N3OS — CID 15327677

IUPACN-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cc[nH]c2)cs1
InChIInChI=1S/C9H9N3OS/c1-6(13)11-9-12-8(5-14-9)7-2-3-10-4-7/h2-5,10H,1H3,(H,11,12,13)
InChIKeyYZGSDZUKURJGHE-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.10
Rot. Bonds2

About N-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]acetamide

N-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 15327677) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is N-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID15327677
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC NameN-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cc[nH]c2)cs1
InChIInChI=1S/C9H9N3OS/c1-6(13)11-9-12-8(5-14-9)7-2-3-10-4-7/h2-5,10H,1H3,(H,11,12,13)
InChIKeyYZGSDZUKURJGHE-UHFFFAOYSA-N
XLogP2.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-pyrrol-3-yl)-1,3-thiazol-2-amine
CID 15327676
N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide
CID 35271808
sodium;4-(2-acetamido-1,3-thiazol-4-yl)benzenesulfinic acid;hydride
CID 173149508
N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 898173
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 39038759
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967
N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 39072446
N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 118630380
N-[4-[4-(4-amino-3-oxobutyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 86616168
N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
CID 57421983
4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 2090772
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]acetamide (CID 15327677) is N-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2cc[nH]c2)cs1.
What is the InChIKey of N-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is YZGSDZUKURJGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-6(13)11-9-12-8(5-14-9)7-2-3-10-4-7/h2-5,10H,1H3,(H,11,12,13).
What are the key properties of N-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]acetamide?
N-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 207.26 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 15327677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).