N-(1H-pyrazol-5-ylmethyl)-1,3-thiazolidine-4-carboxamide

C8H12N4OS — CID 61285501

IUPACN-(1H-pyrazol-5-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccn[nH]1)C1CSCN1
InChIInChI=1S/C8H12N4OS/c13-8(7-4-14-5-10-7)9-3-6-1-2-11-12-6/h1-2,7,10H,3-5H2,(H,9,13)(H,11,12)
InChIKeyUONGJKHDVQWPLA-UHFFFAOYSA-N
MW212.28 g/mol
LogP-0.31
Rot. Bonds3

About N-(1H-pyrazol-5-ylmethyl)-1,3-thiazolidine-4-carboxamide

N-(1H-pyrazol-5-ylmethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 61285501) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID61285501
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC NameN-(1H-pyrazol-5-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccn[nH]1)C1CSCN1
InChIInChI=1S/C8H12N4OS/c13-8(7-4-14-5-10-7)9-3-6-1-2-11-12-6/h1-2,7,10H,3-5H2,(H,9,13)(H,11,12)
InChIKeyUONGJKHDVQWPLA-UHFFFAOYSA-N
XLogP-0.31
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)-1,3-thiazolidine-4-carboxamide (CID 61285501) is N-(1H-pyrazol-5-ylmethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)-1,3-thiazolidine-4-carboxamide is O=C(NCc1ccn[nH]1)C1CSCN1.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is UONGJKHDVQWPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c13-8(7-4-14-5-10-7)9-3-6-1-2-11-12-6/h1-2,7,10H,3-5H2,(H,9,13)(H,11,12).
What are the key properties of N-(1H-pyrazol-5-ylmethyl)-1,3-thiazolidine-4-carboxamide?
N-(1H-pyrazol-5-ylmethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 212.28 g/mol, XLogP of -0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-ylmethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 61285501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).