2-(ethylamino)-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide

C8H10N6OS — CID 154770631

IUPAC2-(ethylamino)-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCNc1nc(C(=O)Nc2cn[nH]n2)cs1
InChIInChI=1S/C8H10N6OS/c1-2-9-8-11-5(4-16-8)7(15)12-6-3-10-14-13-6/h3-4H,2H2,1H3,(H,9,11)(H2,10,12,13,14,15)
InChIKeyYXWWMCNLRVVSCL-UHFFFAOYSA-N
MW238.28 g/mol
LogP0.95
Rot. Bonds4

About 2-(ethylamino)-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide

2-(ethylamino)-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 154770631) has the molecular formula C8H10N6OS and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-(ethylamino)-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID154770631
Molecular FormulaC8H10N6OS
Molecular Weight238.28 g/mol
Exact Mass238.06
IUPAC Name2-(ethylamino)-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCNc1nc(C(=O)Nc2cn[nH]n2)cs1
InChIInChI=1S/C8H10N6OS/c1-2-9-8-11-5(4-16-8)7(15)12-6-3-10-14-13-6/h3-4H,2H2,1H3,(H,9,11)(H2,10,12,13,14,15)
InChIKeyYXWWMCNLRVVSCL-UHFFFAOYSA-N
XLogP0.95
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethylamino)-N-methyl-1,3-thiazole-4-carboxamide
CID 130709348
2-benzyl-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide
CID 166221899
2-(ethylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 71864106
2-acetamido-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 47289778
N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107375056
2-acetamido-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 47388391
5-ethyl-N-(2H-triazol-4-yl)-1,3-oxazole-4-carboxamide
CID 167869532
2-benzamido-N-ethyl-1,3-thiazole-4-carboxamide
CID 16914905
1-[2-(ethylamino)-1,3-thiazole-4-carbonyl]-1,4-diazepan-5-one
CID 136516092
ethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 59799123
N-butyl-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazole-4-carboxamide
CID 46113972
N-(5-ethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide
CID 47423483

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(ethylamino)-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide (CID 154770631) is 2-(ethylamino)-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide is CCNc1nc(C(=O)Nc2cn[nH]n2)cs1.
What is the InChIKey of 2-(ethylamino)-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is YXWWMCNLRVVSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6OS/c1-2-9-8-11-5(4-16-8)7(15)12-6-3-10-14-13-6/h3-4H,2H2,1H3,(H,9,11)(H2,10,12,13,14,15).
What are the key properties of 2-(ethylamino)-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide?
2-(ethylamino)-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 238.28 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 154770631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).