N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide

C17H21N3OS — CID 177335647

IUPACN-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCN1CCCC1CCNC(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C17H21N3OS/c1-20-11-5-8-14(20)9-10-18-16(21)15-12-22-17(19-15)13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,18,21)
InChIKeyJFBXMGXBRMDGII-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.02
Rot. Bonds5

About N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide

N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 177335647) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID177335647
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCN1CCCC1CCNC(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C17H21N3OS/c1-20-11-5-8-14(20)9-10-18-16(21)15-12-22-17(19-15)13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,18,21)
InChIKeyJFBXMGXBRMDGII-UHFFFAOYSA-N
XLogP3.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 177335647) is N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide is CN1CCCC1CCNC(=O)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is JFBXMGXBRMDGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-20-11-5-8-14(20)9-10-18-16(21)15-12-22-17(19-15)13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,18,21).
What are the key properties of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 177335647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).