N-[(4-methyl-1,3-thiazolidin-2-yl)methyl]-1H-pyrazole-5-carboxamide

C9H14N4OS — CID 138857449

IUPACN-[(4-methyl-1,3-thiazolidin-2-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCC1CSC(CNC(=O)c2ccn[nH]2)N1
InChIInChI=1S/C9H14N4OS/c1-6-5-15-8(12-6)4-10-9(14)7-2-3-11-13-7/h2-3,6,8,12H,4-5H2,1H3,(H,10,14)(H,11,13)
InChIKeyBYFUMHOLNOHTFO-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.19
Rot. Bonds3

About N-[(4-methyl-1,3-thiazolidin-2-yl)methyl]-1H-pyrazole-5-carboxamide

N-[(4-methyl-1,3-thiazolidin-2-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 138857449) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazolidin-2-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazolidin-2-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID138857449
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC NameN-[(4-methyl-1,3-thiazolidin-2-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCC1CSC(CNC(=O)c2ccn[nH]2)N1
InChIInChI=1S/C9H14N4OS/c1-6-5-15-8(12-6)4-10-9(14)7-2-3-11-13-7/h2-3,6,8,12H,4-5H2,1H3,(H,10,14)(H,11,13)
InChIKeyBYFUMHOLNOHTFO-UHFFFAOYSA-N
XLogP0.19
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide
CID 127026695
n-Methyl-1h-pyrazole-3-carboxamide
CID 19704574
N-(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 53017380
N~3~-isobutyl-1H-pyrazole-3-carboxamide
CID 53017403
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 45830775
(4aR*,7aS*)-1-propyl-4-(1H-pyrazol-3-ylcarbonyl)octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70735823
N-{rel-(3R,4S)-1-[2-(methylsulfonyl)ethyl]-4-propyl-3-pyrrolidinyl}-1H-pyrazole-3-carboxamide hydrochloride
CID 72925354
Ethane-1,2-diamine, N,N'-bis(3-pyrazolylcarbonyl)-
CID 565685
N-(2-aminoethyl)-1H-pyrazole-5-carboxamide hydrochloride
CID 71758320
N,N-diethyl-1H-pyrazole-3-carboxamide
CID 5128709
N-ethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 121523792
N-[(5S)-5-(1H-pyrazole-5-carbonylamino)hexyl]-1H-pyrazole-5-carboxamide
CID 125531969

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazolidin-2-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(4-methyl-1,3-thiazolidin-2-yl)methyl]-1H-pyrazole-5-carboxamide (CID 138857449) is N-[(4-methyl-1,3-thiazolidin-2-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-methyl-1,3-thiazolidin-2-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(4-methyl-1,3-thiazolidin-2-yl)methyl]-1H-pyrazole-5-carboxamide is CC1CSC(CNC(=O)c2ccn[nH]2)N1.
What is the InChIKey of N-[(4-methyl-1,3-thiazolidin-2-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is BYFUMHOLNOHTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-6-5-15-8(12-6)4-10-9(14)7-2-3-11-13-7/h2-3,6,8,12H,4-5H2,1H3,(H,10,14)(H,11,13).
What are the key properties of N-[(4-methyl-1,3-thiazolidin-2-yl)methyl]-1H-pyrazole-5-carboxamide?
N-[(4-methyl-1,3-thiazolidin-2-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazolidin-2-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 138857449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).