4-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-5-carboxamide

C14H19N5OS — CID 74230817

IUPAC4-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)sc1C(=O)NCc1cc2n(n1)CCNC2
InChIInChI=1S/C14H19N5OS/c1-3-12-13(21-9(2)17-12)14(20)16-7-10-6-11-8-15-4-5-19(11)18-10/h6,15H,3-5,7-8H2,1-2H3,(H,16,20)
InChIKeyKKWBPLOIVKSYDA-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.24
Rot. Bonds4

About 4-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-5-carboxamide

4-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 74230817) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 4-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID74230817
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name4-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)sc1C(=O)NCc1cc2n(n1)CCNC2
InChIInChI=1S/C14H19N5OS/c1-3-12-13(21-9(2)17-12)14(20)16-7-10-6-11-8-15-4-5-19(11)18-10/h6,15H,3-5,7-8H2,1-2H3,(H,16,20)
InChIKeyKKWBPLOIVKSYDA-UHFFFAOYSA-N
XLogP1.24
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 74230817) is 4-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-5-carboxamide is CCc1nc(C)sc1C(=O)NCc1cc2n(n1)CCNC2.
What is the InChIKey of 4-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is KKWBPLOIVKSYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-3-12-13(21-9(2)17-12)14(20)16-7-10-6-11-8-15-4-5-19(11)18-10/h6,15H,3-5,7-8H2,1-2H3,(H,16,20).
What are the key properties of 4-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
4-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 74230817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).