2-[4-[[2-(aminomethyl)imidazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

C16H17N5OS — CID 167753812

IUPAC2-[4-[[2-(aminomethyl)imidazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESNCc1nccn1Cc1csc(CC(=O)Nc2ccccc2)n1
InChIInChI=1S/C16H17N5OS/c17-9-14-18-6-7-21(14)10-13-11-23-16(20-13)8-15(22)19-12-4-2-1-3-5-12/h1-7,11H,8-10,17H2,(H,19,22)
InChIKeyMQSAWVICADUNGO-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.03
Rot. Bonds6

About 2-[4-[[2-(aminomethyl)imidazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

2-[4-[[2-(aminomethyl)imidazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 167753812) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-[4-[[2-(aminomethyl)imidazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[[2-(aminomethyl)imidazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID167753812
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name2-[4-[[2-(aminomethyl)imidazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESNCc1nccn1Cc1csc(CC(=O)Nc2ccccc2)n1
InChIInChI=1S/C16H17N5OS/c17-9-14-18-6-7-21(14)10-13-11-23-16(20-13)8-15(22)19-12-4-2-1-3-5-12/h1-7,11H,8-10,17H2,(H,19,22)
InChIKeyMQSAWVICADUNGO-UHFFFAOYSA-N
XLogP2.03
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 120771636
2-[4-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 95899411
2-[4-[[(2R,5S)-2,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 99106971
2-[4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 111495984
2-[4-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 47942617
2-[2-(hydroxymethyl)imidazol-1-yl]-N-phenylacetamide
CID 62221393
2-[2-(aminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide
CID 55048330
4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 82547522
2-[4-[(2-methyl-3-oxo-2-propylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 126801664
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 82547725
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-chlorophenyl)acetamide
CID 43244296
2-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 9006638

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(aminomethyl)imidazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[[2-(aminomethyl)imidazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (CID 167753812) is 2-[4-[[2-(aminomethyl)imidazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[[2-(aminomethyl)imidazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[[2-(aminomethyl)imidazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is NCc1nccn1Cc1csc(CC(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-[4-[[2-(aminomethyl)imidazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is MQSAWVICADUNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c17-9-14-18-6-7-21(14)10-13-11-23-16(20-13)8-15(22)19-12-4-2-1-3-5-12/h1-7,11H,8-10,17H2,(H,19,22).
What are the key properties of 2-[4-[[2-(aminomethyl)imidazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
2-[4-[[2-(aminomethyl)imidazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 327.41 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(aminomethyl)imidazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 167753812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).