2-(3-aminopyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide

C12H17N5OS — CID 62111904

IUPAC2-(3-aminopyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
SMILESCc1nc(C)c(C(C)NC(=O)Cn2ccc(N)n2)s1
InChIInChI=1S/C12H17N5OS/c1-7-12(19-9(3)14-7)8(2)15-11(18)6-17-5-4-10(13)16-17/h4-5,8H,6H2,1-3H3,(H2,13,16)(H,15,18)
InChIKeyGJWHPCFGFZLMIZ-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.42
Rot. Bonds4

About 2-(3-aminopyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide

2-(3-aminopyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide (PubChem CID 62111904) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
PubChem CID62111904
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name2-(3-aminopyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
SMILESCc1nc(C)c(C(C)NC(=O)Cn2ccc(N)n2)s1
InChIInChI=1S/C12H17N5OS/c1-7-12(19-9(3)14-7)8(2)15-11(18)6-17-5-4-10(13)16-17/h4-5,8H,6H2,1-3H3,(H2,13,16)(H,15,18)
InChIKeyGJWHPCFGFZLMIZ-UHFFFAOYSA-N
XLogP1.42
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide (CID 62111904) is 2-(3-aminopyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide is Cc1nc(C)c(C(C)NC(=O)Cn2ccc(N)n2)s1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide?
The InChIKey is GJWHPCFGFZLMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-7-12(19-9(3)14-7)8(2)15-11(18)6-17-5-4-10(13)16-17/h4-5,8H,6H2,1-3H3,(H2,13,16)(H,15,18).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide?
2-(3-aminopyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide has a molecular weight of 279.37 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 62111904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).