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

C12H18N6OS — CID 131937080

IUPAC2-(ethylamino)-4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(C)c(C(=O)NC(C)Cn2cncn2)s1
InChIInChI=1S/C12H18N6OS/c1-4-14-12-17-9(3)10(20-12)11(19)16-8(2)5-18-7-13-6-15-18/h6-8H,4-5H2,1-3H3,(H,14,17)(H,16,19)
InChIKeyMTCHNQADCZGTSV-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.29
Rot. Bonds6

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

2-(ethylamino)-4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 131937080) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(ethylamino)-4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID131937080
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name2-(ethylamino)-4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(C)c(C(=O)NC(C)Cn2cncn2)s1
InChIInChI=1S/C12H18N6OS/c1-4-14-12-17-9(3)10(20-12)11(19)16-8(2)5-18-7-13-6-15-18/h6-8H,4-5H2,1-3H3,(H,14,17)(H,16,19)
InChIKeyMTCHNQADCZGTSV-UHFFFAOYSA-N
XLogP1.29
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]thiadiazole-5-carboxamide
CID 110226454
1-methyl-6-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide
CID 75461996
5-ethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrrole-2-carboxamide
CID 91782567
2-(ethylamino)-4-methyl-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 118762665
4-methyl-2-(4-methylpiperazin-1-yl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidine-5-carboxamide
CID 125158178
1-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 29023480
1-(4-butan-2-yl-1,3-thiazol-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 71870194
4-(4-fluorophenyl)-5-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 97050989
3-hydroxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-2-carboxamide
CID 154805729
1-(2-phenylethyl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]triazole-4-carboxamide
CID 25281033
2-chloro-4,5-difluoro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 91781642
1-(1-hydroxybutan-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 110911522

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(ethylamino)-4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide (CID 131937080) is 2-(ethylamino)-4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide is CCNc1nc(C)c(C(=O)NC(C)Cn2cncn2)s1.
What is the InChIKey of 2-(ethylamino)-4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is MTCHNQADCZGTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-4-14-12-17-9(3)10(20-12)11(19)16-8(2)5-18-7-13-6-15-18/h6-8H,4-5H2,1-3H3,(H,14,17)(H,16,19).
What are the key properties of 2-(ethylamino)-4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide?
2-(ethylamino)-4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 131937080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).