N-[(3R)-2-oxoazepan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide

C13H19N3O2S — CID 97152900

IUPACN-[(3R)-2-oxoazepan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)N[C@@H]2CCCCNC2=O)cs1
InChIInChI=1S/C13H19N3O2S/c1-2-5-11-15-10(8-19-11)13(18)16-9-6-3-4-7-14-12(9)17/h8-9H,2-7H2,1H3,(H,14,17)(H,16,18)/t9-/m1/s1
InChIKeyLORWAWIDHHBUDK-SECBINFHSA-N
MW281.38 g/mol
LogP1.49
Rot. Bonds4

About N-[(3R)-2-oxoazepan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide

N-[(3R)-2-oxoazepan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide (PubChem CID 97152900) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[(3R)-2-oxoazepan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-2-oxoazepan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
PubChem CID97152900
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-[(3R)-2-oxoazepan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)N[C@@H]2CCCCNC2=O)cs1
InChIInChI=1S/C13H19N3O2S/c1-2-5-11-15-10(8-19-11)13(18)16-9-6-3-4-7-14-12(9)17/h8-9H,2-7H2,1H3,(H,14,17)(H,16,18)/t9-/m1/s1
InChIKeyLORWAWIDHHBUDK-SECBINFHSA-N
XLogP1.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2-oxoazepan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3R)-2-oxoazepan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide (CID 97152900) is N-[(3R)-2-oxoazepan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3R)-2-oxoazepan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3R)-2-oxoazepan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide is CCCc1nc(C(=O)N[C@@H]2CCCCNC2=O)cs1.
What is the InChIKey of N-[(3R)-2-oxoazepan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is LORWAWIDHHBUDK-SECBINFHSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-2-5-11-15-10(8-19-11)13(18)16-9-6-3-4-7-14-12(9)17/h8-9H,2-7H2,1H3,(H,14,17)(H,16,18)/t9-/m1/s1.
What are the key properties of N-[(3R)-2-oxoazepan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide?
N-[(3R)-2-oxoazepan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2-oxoazepan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 97152900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).