N-(4-amino-1H-pyrazol-5-yl)thiane-2-carboxamide

C9H14N4OS — CID 80594665

IUPACN-(4-amino-1H-pyrazol-5-yl)thiane-2-carboxamide
SMILESNc1cn[nH]c1NC(=O)C1CCCCS1
InChIInChI=1S/C9H14N4OS/c10-6-5-11-13-8(6)12-9(14)7-3-1-2-4-15-7/h5,7H,1-4,10H2,(H2,11,12,13,14)
InChIKeyLWKAZUCUECADAJ-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.22
Rot. Bonds2

About N-(4-amino-1H-pyrazol-5-yl)thiane-2-carboxamide

N-(4-amino-1H-pyrazol-5-yl)thiane-2-carboxamide (PubChem CID 80594665) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is N-(4-amino-1H-pyrazol-5-yl)thiane-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-1H-pyrazol-5-yl)thiane-2-carboxamide
PubChem CID80594665
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC NameN-(4-amino-1H-pyrazol-5-yl)thiane-2-carboxamide
SMILESNc1cn[nH]c1NC(=O)C1CCCCS1
InChIInChI=1S/C9H14N4OS/c10-6-5-11-13-8(6)12-9(14)7-3-1-2-4-15-7/h5,7H,1-4,10H2,(H2,11,12,13,14)
InChIKeyLWKAZUCUECADAJ-UHFFFAOYSA-N
XLogP1.22
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1H-pyrazol-5-yl)thiane-2-carboxamide?
The IUPAC name of N-(4-amino-1H-pyrazol-5-yl)thiane-2-carboxamide (CID 80594665) is N-(4-amino-1H-pyrazol-5-yl)thiane-2-carboxamide.
What is the SMILES notation for N-(4-amino-1H-pyrazol-5-yl)thiane-2-carboxamide?
The canonical SMILES for N-(4-amino-1H-pyrazol-5-yl)thiane-2-carboxamide is Nc1cn[nH]c1NC(=O)C1CCCCS1.
What is the InChIKey of N-(4-amino-1H-pyrazol-5-yl)thiane-2-carboxamide?
The InChIKey is LWKAZUCUECADAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c10-6-5-11-13-8(6)12-9(14)7-3-1-2-4-15-7/h5,7H,1-4,10H2,(H2,11,12,13,14).
What are the key properties of N-(4-amino-1H-pyrazol-5-yl)thiane-2-carboxamide?
N-(4-amino-1H-pyrazol-5-yl)thiane-2-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1H-pyrazol-5-yl)thiane-2-carboxamide is sourced from PubChem (CID 80594665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).