2-(4-methyl-1,3-thiazol-2-yl)-N-[(1-phenyl-1,2,4-triazol-3-yl)methyl]propanamide

C16H17N5OS — CID 138035698

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-N-[(1-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCc1csc(C(C)C(=O)NCc2ncn(-c3ccccc3)n2)n1
InChIInChI=1S/C16H17N5OS/c1-11-9-23-16(19-11)12(2)15(22)17-8-14-18-10-21(20-14)13-6-4-3-5-7-13/h3-7,9-10,12H,8H2,1-2H3,(H,17,22)
InChIKeyATQINIFLDIHHPD-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.45
Rot. Bonds5

About 2-(4-methyl-1,3-thiazol-2-yl)-N-[(1-phenyl-1,2,4-triazol-3-yl)methyl]propanamide

2-(4-methyl-1,3-thiazol-2-yl)-N-[(1-phenyl-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 138035698) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-N-[(1-phenyl-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-N-[(1-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID138035698
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-N-[(1-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCc1csc(C(C)C(=O)NCc2ncn(-c3ccccc3)n2)n1
InChIInChI=1S/C16H17N5OS/c1-11-9-23-16(19-11)12(2)15(22)17-8-14-18-10-21(20-14)13-6-4-3-5-7-13/h3-7,9-10,12H,8H2,1-2H3,(H,17,22)
InChIKeyATQINIFLDIHHPD-UHFFFAOYSA-N
XLogP2.45
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-methyl-1,3-thiazol-2-yl)-N-[(1-phenyl-1,2,4-triazol-3-yl)methyl]propanamide with MolForge

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Related Compounds

N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 122652435
N-benzyl-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71911030
N-[2-hydroxy-1-(2-methylphenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 154832744
1-[(1-phenyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122015624
ethyl 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2-phenylacetate
CID 104579188
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 102567217
(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 94036213
ethyl (2S)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-3-phenylpropanoate
CID 8024886
2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569
(2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 130629082
2-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutanamide
CID 114927077
ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetate
CID 104770610

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N-[(1-phenyl-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N-[(1-phenyl-1,2,4-triazol-3-yl)methyl]propanamide (CID 138035698) is 2-(4-methyl-1,3-thiazol-2-yl)-N-[(1-phenyl-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-N-[(1-phenyl-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-N-[(1-phenyl-1,2,4-triazol-3-yl)methyl]propanamide is Cc1csc(C(C)C(=O)NCc2ncn(-c3ccccc3)n2)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-N-[(1-phenyl-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is ATQINIFLDIHHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-11-9-23-16(19-11)12(2)15(22)17-8-14-18-10-21(20-14)13-6-4-3-5-7-13/h3-7,9-10,12H,8H2,1-2H3,(H,17,22).
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-N-[(1-phenyl-1,2,4-triazol-3-yl)methyl]propanamide?
2-(4-methyl-1,3-thiazol-2-yl)-N-[(1-phenyl-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 327.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-N-[(1-phenyl-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 138035698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).