N-[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide

C15H23N3O2S — CID 121250170

IUPACN-[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide
SMILESNCCCC[C@H](NC(=O)C1CCCC1)C(=O)c1nccs1
InChIInChI=1S/C15H23N3O2S/c16-8-4-3-7-12(13(19)15-17-9-10-21-15)18-14(20)11-5-1-2-6-11/h9-12H,1-8,16H2,(H,18,20)/t12-/m0/s1
InChIKeyLINJWDQYDVHDDC-LBPRGKRZSA-N
MW309.44 g/mol
LogP2.13
Rot. Bonds8

About N-[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide

N-[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide (PubChem CID 121250170) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide
PubChem CID121250170
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide
SMILESNCCCC[C@H](NC(=O)C1CCCC1)C(=O)c1nccs1
InChIInChI=1S/C15H23N3O2S/c16-8-4-3-7-12(13(19)15-17-9-10-21-15)18-14(20)11-5-1-2-6-11/h9-12H,1-8,16H2,(H,18,20)/t12-/m0/s1
InChIKeyLINJWDQYDVHDDC-LBPRGKRZSA-N
XLogP2.13
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ac-Lys-Gln-Leu-Arg-thiazol-2-yl
CID 118721642
Ac-Arg-Gln-Leu-Arg-thiazol-2-yl
CID 118721647
Ac-Lys-Arg-Leu-Arg-thiazol-2-yl
CID 118721649
Ac-Arg-Lys-Leu-Arg-thiazol-2-yl
CID 118721659
Ac-Lys-Gln-Leu-D-Arg-thiazol-2-yl
CID 127042186
Glycinamide, D-arginyl-N-[(1S)-4-[(aminoiminomethyl)amino]-1-(2-thiazolylcarbonyl)butyl]-
CID 9933675
(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]ethanone
CID 10245529
(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)azetidin-1-yl]ethanone
CID 44453458
Ac-Gln-Leu-Arg-thiazol-2-yl
CID 127042541
Ac-Gln-Leu-D-Arg-thiazol-2-yl
CID 127042542
Ac-Leu-Arg-thiazol-2-yl
CID 127042543
Ac-Leu-D-Arg-thiazol-2-yl
CID 127042544

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide (CID 121250170) is N-[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide is NCCCC[C@H](NC(=O)C1CCCC1)C(=O)c1nccs1.
What is the InChIKey of N-[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide?
The InChIKey is LINJWDQYDVHDDC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O2S/c16-8-4-3-7-12(13(19)15-17-9-10-21-15)18-14(20)11-5-1-2-6-11/h9-12H,1-8,16H2,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide?
N-[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide has a molecular weight of 309.44 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 121250170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).