N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide

C13H17N5OS — CID 75385661

IUPACN-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)Nc2n[nH]c(C3CC3)c2C)s1
InChIInChI=1S/C13H17N5OS/c1-3-14-13-15-6-9(20-13)12(19)16-11-7(2)10(17-18-11)8-4-5-8/h6,8H,3-5H2,1-2H3,(H,14,15)(H2,16,17,18,19)
InChIKeyWYFZCVINOKOUBD-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.74
Rot. Bonds5

About N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide

N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 75385661) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide
PubChem CID75385661
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)Nc2n[nH]c(C3CC3)c2C)s1
InChIInChI=1S/C13H17N5OS/c1-3-14-13-15-6-9(20-13)12(19)16-11-7(2)10(17-18-11)8-4-5-8/h6,8H,3-5H2,1-2H3,(H,14,15)(H2,16,17,18,19)
InChIKeyWYFZCVINOKOUBD-UHFFFAOYSA-N
XLogP2.74
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide (CID 75385661) is N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide is CCNc1ncc(C(=O)Nc2n[nH]c(C3CC3)c2C)s1.
What is the InChIKey of N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is WYFZCVINOKOUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-3-14-13-15-6-9(20-13)12(19)16-11-7(2)10(17-18-11)8-4-5-8/h6,8H,3-5H2,1-2H3,(H,14,15)(H2,16,17,18,19).
What are the key properties of N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide?
N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-2-(ethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75385661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).