N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide

C12H19N3OS — CID 84587563

IUPACN-[5-(2-methylpropyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
SMILESCC(C)Cc1cnc(NC(=O)N2CCCC2)s1
InChIInChI=1S/C12H19N3OS/c1-9(2)7-10-8-13-11(17-10)14-12(16)15-5-3-4-6-15/h8-9H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyQVCRUESFEKGYIQ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.97
Rot. Bonds3

About N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide

N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide (PubChem CID 84587563) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
PubChem CID84587563
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-[5-(2-methylpropyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
SMILESCC(C)Cc1cnc(NC(=O)N2CCCC2)s1
InChIInChI=1S/C12H19N3OS/c1-9(2)7-10-8-13-11(17-10)14-12(16)15-5-3-4-6-15/h8-9H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyQVCRUESFEKGYIQ-UHFFFAOYSA-N
XLogP2.97
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide (CID 84587563) is N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide is CC(C)Cc1cnc(NC(=O)N2CCCC2)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is QVCRUESFEKGYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9(2)7-10-8-13-11(17-10)14-12(16)15-5-3-4-6-15/h8-9H,3-7H2,1-2H3,(H,13,14,16).
What are the key properties of N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 84587563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).