N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

C17H27N3OS — CID 90653038

IUPACN-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESCc1ncsc1CCCNC(=O)C1(N2CCCC2)CCCC1
InChIInChI=1S/C17H27N3OS/c1-14-15(22-13-19-14)7-6-10-18-16(21)17(8-2-3-9-17)20-11-4-5-12-20/h13H,2-12H2,1H3,(H,18,21)
InChIKeyNXJXGWNTCJWMTR-UHFFFAOYSA-N
MW321.49 g/mol
LogP2.91
Rot. Bonds6

About N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (PubChem CID 90653038) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
PubChem CID90653038
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC NameN-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESCc1ncsc1CCCNC(=O)C1(N2CCCC2)CCCC1
InChIInChI=1S/C17H27N3OS/c1-14-15(22-13-19-14)7-6-10-18-16(21)17(8-2-3-9-17)20-11-4-5-12-20/h13H,2-12H2,1H3,(H,18,21)
InChIKeyNXJXGWNTCJWMTR-UHFFFAOYSA-N
XLogP2.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-fluorophenyl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 131912090
N-[2-(1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 122560463
N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 135089946
(3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95876902
1-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65108787
(2R)-2-(4-fluorophenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]azetidine-1-carboxamide
CID 126444900
2-(benzotriazol-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide
CID 90650982
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide
CID 118766874
1-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 70707512
N-[2-(4-fluorophenoxy)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131930916
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-morpholin-4-ylcyclopentane-1-carboxamide
CID 86778769
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 56826154

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (CID 90653038) is N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is Cc1ncsc1CCCNC(=O)C1(N2CCCC2)CCCC1.
What is the InChIKey of N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The InChIKey is NXJXGWNTCJWMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS/c1-14-15(22-13-19-14)7-6-10-18-16(21)17(8-2-3-9-17)20-11-4-5-12-20/h13H,2-12H2,1H3,(H,18,21).
What are the key properties of N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide has a molecular weight of 321.49 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 90653038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).