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

C8H12N4OS — CID 61000511

IUPACN-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1cn[nH]c1)C1CSCN1
InChIInChI=1S/C8H12N4OS/c13-8(7-4-14-5-10-7)9-1-6-2-11-12-3-6/h2-3,7,10H,1,4-5H2,(H,9,13)(H,11,12)
InChIKeyRNASKQNYJKDKDD-UHFFFAOYSA-N
MW212.28 g/mol
LogP-0.31
Rot. Bonds3

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

N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 61000511) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID61000511
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC NameN-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1cn[nH]c1)C1CSCN1
InChIInChI=1S/C8H12N4OS/c13-8(7-4-14-5-10-7)9-1-6-2-11-12-3-6/h2-3,7,10H,1,4-5H2,(H,9,13)(H,11,12)
InChIKeyRNASKQNYJKDKDD-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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Related Compounds

2-(1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxamide
CID 123690849
N-(1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxamide
CID 43540266
2-oxo-N-(1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxamide
CID 43540360
7a-methyl-5-oxo-N-(1H-pyrazol-4-ylmethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 54897160
2-amino-4-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 54897255
3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60735784
2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylmethylamino)propan-2-yl]propanamide
CID 60735821
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 60735960
2-acetamido-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60736169
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 60736231
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 60936801
2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 60999682

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide (CID 61000511) is N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide is O=C(NCc1cn[nH]c1)C1CSCN1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is RNASKQNYJKDKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c13-8(7-4-14-5-10-7)9-1-6-2-11-12-3-6/h2-3,7,10H,1,4-5H2,(H,9,13)(H,11,12).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide?
N-(1H-pyrazol-4-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-4-ylmethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 61000511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).