2-[1-(cyclopropylmethyl)-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

C17H18N6O2S — CID 25095675

IUPAC2-[1-(cyclopropylmethyl)-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cnn(CC3CC3)c2=O)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C17H18N6O2S/c1-11-14(15(24)19-8-13-3-2-6-18-7-13)26-16(21-11)22-10-20-23(17(22)25)9-12-4-5-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,19,24)
InChIKeyJQKIHZZRPQRCIL-UHFFFAOYSA-N
MW370.44 g/mol
LogP1.53
Rot. Bonds6

About 2-[1-(cyclopropylmethyl)-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

2-[1-(cyclopropylmethyl)-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 25095675) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID25095675
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC Name2-[1-(cyclopropylmethyl)-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cnn(CC3CC3)c2=O)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C17H18N6O2S/c1-11-14(15(24)19-8-13-3-2-6-18-7-13)26-16(21-11)22-10-20-23(17(22)25)9-12-4-5-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,19,24)
InChIKeyJQKIHZZRPQRCIL-UHFFFAOYSA-N
XLogP1.53
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[1-(cyclopropylmethyl)-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 25095675) is 2-[1-(cyclopropylmethyl)-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(-n2cnn(CC3CC3)c2=O)sc1C(=O)NCc1cccnc1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is JQKIHZZRPQRCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S/c1-11-14(15(24)19-8-13-3-2-6-18-7-13)26-16(21-11)22-10-20-23(17(22)25)9-12-4-5-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,19,24).
What are the key properties of 2-[1-(cyclopropylmethyl)-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
2-[1-(cyclopropylmethyl)-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 370.44 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25095675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).