N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

C10H13N5OS — CID 47210781

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCn1cnnc1CNC(=O)c1scnc1C
InChIInChI=1S/C10H13N5OS/c1-3-15-5-13-14-8(15)4-11-10(16)9-7(2)12-6-17-9/h5-6H,3-4H2,1-2H3,(H,11,16)
InChIKeyBAMLUJHOYUESPN-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.99
Rot. Bonds4

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 47210781) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID47210781
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCn1cnnc1CNC(=O)c1scnc1C
InChIInChI=1S/C10H13N5OS/c1-3-15-5-13-14-8(15)4-11-10(16)9-7(2)12-6-17-9/h5-6H,3-4H2,1-2H3,(H,11,16)
InChIKeyBAMLUJHOYUESPN-UHFFFAOYSA-N
XLogP0.99
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 111700939
2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 106303977
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 106304018
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxy-5-phenylthiophene-2-carboxamide
CID 51087309
3-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylpropanamide
CID 103813792
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717599
2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylbenzamide
CID 106301555
N-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110848200
3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 106304193
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 107260883
4-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide;dihydrochloride
CID 119855022
3-amino-5-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 106301578

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 47210781) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is CCn1cnnc1CNC(=O)c1scnc1C.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is BAMLUJHOYUESPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-3-15-5-13-14-8(15)4-11-10(16)9-7(2)12-6-17-9/h5-6H,3-4H2,1-2H3,(H,11,16).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47210781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).