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

C11H15N5OS — CID 128518247

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyltriazole-4-carboxamide
SMILESCCn1nncc1C(=O)NCc1nc(C)c(C)s1
InChIInChI=1S/C11H15N5OS/c1-4-16-9(5-13-15-16)11(17)12-6-10-14-7(2)8(3)18-10/h5H,4,6H2,1-3H3,(H,12,17)
InChIKeyZAQACMUWJLZVCW-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.30
Rot. Bonds4

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

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyltriazole-4-carboxamide (PubChem CID 128518247) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyltriazole-4-carboxamide
PubChem CID128518247
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyltriazole-4-carboxamide
SMILESCCn1nncc1C(=O)NCc1nc(C)c(C)s1
InChIInChI=1S/C11H15N5OS/c1-4-16-9(5-13-15-16)11(17)12-6-10-14-7(2)8(3)18-10/h5H,4,6H2,1-3H3,(H,12,17)
InChIKeyZAQACMUWJLZVCW-UHFFFAOYSA-N
XLogP1.30
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-N-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]triazole-4-carboxamide
CID 164634149
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N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,4-dimethylbenzamide
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N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
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CID 110444729
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 72927235
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide
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CID 110443047
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3-bromo-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110091
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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyltriazole-4-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyltriazole-4-carboxamide (CID 128518247) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyltriazole-4-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyltriazole-4-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyltriazole-4-carboxamide is CCn1nncc1C(=O)NCc1nc(C)c(C)s1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyltriazole-4-carboxamide?
The InChIKey is ZAQACMUWJLZVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-4-16-9(5-13-15-16)11(17)12-6-10-14-7(2)8(3)18-10/h5H,4,6H2,1-3H3,(H,12,17).
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyltriazole-4-carboxamide?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyltriazole-4-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyltriazole-4-carboxamide is sourced from PubChem (CID 128518247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).