4-methyl-N-(1-phenylcyclopropyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide

C16H15N5OS — CID 56784837

IUPAC4-methyl-N-(1-phenylcyclopropyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncn[nH]2)sc1C(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C16H15N5OS/c1-10-12(23-15(19-10)13-17-9-18-21-13)14(22)20-16(7-8-16)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,20,22)(H,17,18,21)
InChIKeyKIOGFXGXVKVJIB-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.66
Rot. Bonds4

About 4-methyl-N-(1-phenylcyclopropyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide

4-methyl-N-(1-phenylcyclopropyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide (PubChem CID 56784837) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 4-methyl-N-(1-phenylcyclopropyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1-phenylcyclopropyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide
PubChem CID56784837
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name4-methyl-N-(1-phenylcyclopropyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncn[nH]2)sc1C(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C16H15N5OS/c1-10-12(23-15(19-10)13-17-9-18-21-13)14(22)20-16(7-8-16)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,20,22)(H,17,18,21)
InChIKeyKIOGFXGXVKVJIB-UHFFFAOYSA-N
XLogP2.66
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-phenylcyclopropyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(1-phenylcyclopropyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide (CID 56784837) is 4-methyl-N-(1-phenylcyclopropyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(1-phenylcyclopropyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(1-phenylcyclopropyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2ncn[nH]2)sc1C(=O)NC1(c2ccccc2)CC1.
What is the InChIKey of 4-methyl-N-(1-phenylcyclopropyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is KIOGFXGXVKVJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-10-12(23-15(19-10)13-17-9-18-21-13)14(22)20-16(7-8-16)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,20,22)(H,17,18,21).
What are the key properties of 4-methyl-N-(1-phenylcyclopropyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide?
4-methyl-N-(1-phenylcyclopropyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 325.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-phenylcyclopropyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56784837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).