1-(5-amino-1,3-thiazol-2-yl)-N,N-dimethylpyrazole-3-carboxamide

C9H11N5OS — CID 102769211

IUPAC1-(5-amino-1,3-thiazol-2-yl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2ncc(N)s2)n1
InChIInChI=1S/C9H11N5OS/c1-13(2)8(15)6-3-4-14(12-6)9-11-5-7(10)16-9/h3-5H,10H2,1-2H3
InChIKeyJZYKOJUHXLGRRJ-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.61
Rot. Bonds2

About 1-(5-amino-1,3-thiazol-2-yl)-N,N-dimethylpyrazole-3-carboxamide

1-(5-amino-1,3-thiazol-2-yl)-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 102769211) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 1-(5-amino-1,3-thiazol-2-yl)-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(5-amino-1,3-thiazol-2-yl)-N,N-dimethylpyrazole-3-carboxamide
PubChem CID102769211
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name1-(5-amino-1,3-thiazol-2-yl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2ncc(N)s2)n1
InChIInChI=1S/C9H11N5OS/c1-13(2)8(15)6-3-4-14(12-6)9-11-5-7(10)16-9/h3-5H,10H2,1-2H3
InChIKeyJZYKOJUHXLGRRJ-UHFFFAOYSA-N
XLogP0.61
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1,3-thiazol-2-yl)-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-(5-amino-1,3-thiazol-2-yl)-N,N-dimethylpyrazole-3-carboxamide (CID 102769211) is 1-(5-amino-1,3-thiazol-2-yl)-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(5-amino-1,3-thiazol-2-yl)-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-(5-amino-1,3-thiazol-2-yl)-N,N-dimethylpyrazole-3-carboxamide is CN(C)C(=O)c1ccn(-c2ncc(N)s2)n1.
What is the InChIKey of 1-(5-amino-1,3-thiazol-2-yl)-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is JZYKOJUHXLGRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-13(2)8(15)6-3-4-14(12-6)9-11-5-7(10)16-9/h3-5H,10H2,1-2H3.
What are the key properties of 1-(5-amino-1,3-thiazol-2-yl)-N,N-dimethylpyrazole-3-carboxamide?
1-(5-amino-1,3-thiazol-2-yl)-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 237.29 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1,3-thiazol-2-yl)-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 102769211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).