N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide

C11H18N4OS — CID 110742815

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1n[nH]c(C)c1CCNC(=O)C1CSCN1
InChIInChI=1S/C11H18N4OS/c1-7-9(8(2)15-14-7)3-4-12-11(16)10-5-17-6-13-10/h10,13H,3-6H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyAHRPNSHXJIQDFA-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.35
Rot. Bonds4

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 110742815) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID110742815
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1n[nH]c(C)c1CCNC(=O)C1CSCN1
InChIInChI=1S/C11H18N4OS/c1-7-9(8(2)15-14-7)3-4-12-11(16)10-5-17-6-13-10/h10,13H,3-6H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyAHRPNSHXJIQDFA-UHFFFAOYSA-N
XLogP0.35
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide (CID 110742815) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide is Cc1n[nH]c(C)c1CCNC(=O)C1CSCN1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is AHRPNSHXJIQDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-7-9(8(2)15-14-7)3-4-12-11(16)10-5-17-6-13-10/h10,13H,3-6H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 110742815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).