N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

C20H31N3OS2 — CID 175642743

IUPACN-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESCc1csc(SC2CCC(NC(=O)C3(N4CCCC4)CCCC3)CC2)n1
InChIInChI=1S/C20H31N3OS2/c1-15-14-25-19(21-15)26-17-8-6-16(7-9-17)22-18(24)20(10-2-3-11-20)23-12-4-5-13-23/h14,16-17H,2-13H2,1H3,(H,22,24)
InChIKeyGTNYDIILJKGPMV-UHFFFAOYSA-N
MW393.62 g/mol
LogP4.38
Rot. Bonds5

About N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (PubChem CID 175642743) has the molecular formula C20H31N3OS2 and a molecular weight of 393.62 g/mol. Its IUPAC name is N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
PubChem CID175642743
Molecular FormulaC20H31N3OS2
Molecular Weight393.62 g/mol
Exact Mass393.19
IUPAC NameN-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESCc1csc(SC2CCC(NC(=O)C3(N4CCCC4)CCCC3)CC2)n1
InChIInChI=1S/C20H31N3OS2/c1-15-14-25-19(21-15)26-17-8-6-16(7-9-17)22-18(24)20(10-2-3-11-20)23-12-4-5-13-23/h14,16-17H,2-13H2,1H3,(H,22,24)
InChIKeyGTNYDIILJKGPMV-UHFFFAOYSA-N
XLogP4.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.62
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (CID 175642743) is N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is Cc1csc(SC2CCC(NC(=O)C3(N4CCCC4)CCCC3)CC2)n1.
What is the InChIKey of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The InChIKey is GTNYDIILJKGPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3OS2/c1-15-14-25-19(21-15)26-17-8-6-16(7-9-17)22-18(24)20(10-2-3-11-20)23-12-4-5-13-23/h14,16-17H,2-13H2,1H3,(H,22,24).
What are the key properties of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide has a molecular weight of 393.62 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 175642743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).