N-cyclohexyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide

C14H21N3OS — CID 53015899

IUPACN-cyclohexyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCCC1)c1csc(N2CCCC2)n1
InChIInChI=1S/C14H21N3OS/c18-13(15-11-6-2-1-3-7-11)12-10-19-14(16-12)17-8-4-5-9-17/h10-11H,1-9H2,(H,15,18)
InChIKeyHAIQUDDORDSQNL-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.81
Rot. Bonds3

About N-cyclohexyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide

N-cyclohexyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide (PubChem CID 53015899) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-cyclohexyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
PubChem CID53015899
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-cyclohexyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCCC1)c1csc(N2CCCC2)n1
InChIInChI=1S/C14H21N3OS/c18-13(15-11-6-2-1-3-7-11)12-10-19-14(16-12)17-8-4-5-9-17/h10-11H,1-9H2,(H,15,18)
InChIKeyHAIQUDDORDSQNL-UHFFFAOYSA-N
XLogP2.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide (CID 53015899) is N-cyclohexyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide is O=C(NC1CCCCC1)c1csc(N2CCCC2)n1.
What is the InChIKey of N-cyclohexyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
The InChIKey is HAIQUDDORDSQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c18-13(15-11-6-2-1-3-7-11)12-10-19-14(16-12)17-8-4-5-9-17/h10-11H,1-9H2,(H,15,18).
What are the key properties of N-cyclohexyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
N-cyclohexyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide has a molecular weight of 279.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53015899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).