N,4-dimethyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide

C13H22N2OS — CID 58499066

IUPACN,4-dimethyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide
SMILESCNC(=O)CC(c1ncc(C(C)C)s1)C(C)C
InChIInChI=1S/C13H22N2OS/c1-8(2)10(6-12(16)14-5)13-15-7-11(17-13)9(3)4/h7-10H,6H2,1-5H3,(H,14,16)
InChIKeyBXPHBMVBUMZGPX-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.14
Rot. Bonds5

About N,4-dimethyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide

N,4-dimethyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide (PubChem CID 58499066) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N,4-dimethyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound NameN,4-dimethyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide
PubChem CID58499066
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN,4-dimethyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide
SMILESCNC(=O)CC(c1ncc(C(C)C)s1)C(C)C
InChIInChI=1S/C13H22N2OS/c1-8(2)10(6-12(16)14-5)13-15-7-11(17-13)9(3)4/h7-10H,6H2,1-5H3,(H,14,16)
InChIKeyBXPHBMVBUMZGPX-UHFFFAOYSA-N
XLogP3.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide?
The IUPAC name of N,4-dimethyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide (CID 58499066) is N,4-dimethyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for N,4-dimethyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for N,4-dimethyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide is CNC(=O)CC(c1ncc(C(C)C)s1)C(C)C.
What is the InChIKey of N,4-dimethyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide?
The InChIKey is BXPHBMVBUMZGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-8(2)10(6-12(16)14-5)13-15-7-11(17-13)9(3)4/h7-10H,6H2,1-5H3,(H,14,16).
What are the key properties of N,4-dimethyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide?
N,4-dimethyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide has a molecular weight of 254.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 58499066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).