N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazolidine-4-carboxamide

C11H18N4OS — CID 119316160

IUPACN-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazolidine-4-carboxamide
SMILESCn1cc(CCCNC(=O)C2CSCN2)cn1
InChIInChI=1S/C11H18N4OS/c1-15-6-9(5-14-15)3-2-4-12-11(16)10-7-17-8-13-10/h5-6,10,13H,2-4,7-8H2,1H3,(H,12,16)
InChIKeyCNPNVEFKVBYEAB-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.13
Rot. Bonds5

About N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazolidine-4-carboxamide

N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 119316160) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazolidine-4-carboxamide
PubChem CID119316160
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazolidine-4-carboxamide
SMILESCn1cc(CCCNC(=O)C2CSCN2)cn1
InChIInChI=1S/C11H18N4OS/c1-15-6-9(5-14-15)3-2-4-12-11(16)10-7-17-8-13-10/h5-6,10,13H,2-4,7-8H2,1H3,(H,12,16)
InChIKeyCNPNVEFKVBYEAB-UHFFFAOYSA-N
XLogP0.13
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-hydroxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide
CID 110667219
1-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 72916628
N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
CID 80682539
N-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide
CID 61276051
N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119770919
N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpyrazolidine-4-carboxamide
CID 134079697
(4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119268318
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 103629888
(3S)-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 97282831
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110741853
N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72919300
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110796288

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazolidine-4-carboxamide (CID 119316160) is N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazolidine-4-carboxamide is Cn1cc(CCCNC(=O)C2CSCN2)cn1.
What is the InChIKey of N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is CNPNVEFKVBYEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-15-6-9(5-14-15)3-2-4-12-11(16)10-7-17-8-13-10/h5-6,10,13H,2-4,7-8H2,1H3,(H,12,16).
What are the key properties of N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazolidine-4-carboxamide?
N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119316160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).