5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide

C15H19N3OS — CID 82852078

IUPAC5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide
SMILESCC(N)CCCC(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C15H19N3OS/c1-11(16)3-2-4-14(19)18-13-7-5-12(6-8-13)15-17-9-10-20-15/h5-11H,2-4,16H2,1H3,(H,18,19)
InChIKeyXXGCCDPKFUIBKZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.27
Rot. Bonds6

About 5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide

5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide (PubChem CID 82852078) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide.

Molecular Properties

Compound Name5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide
PubChem CID82852078
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide
SMILESCC(N)CCCC(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C15H19N3OS/c1-11(16)3-2-4-14(19)18-13-7-5-12(6-8-13)15-17-9-10-20-15/h5-11H,2-4,16H2,1H3,(H,18,19)
InChIKeyXXGCCDPKFUIBKZ-UHFFFAOYSA-N
XLogP3.27
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-N-[4-(1,3-thiazol-2-yl)phenyl]heptanamide;hydrochloride
CID 119686436
5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide
CID 114014790
(2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 54995648
2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 54862203
3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 51108495
5-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 82848160
4-amino-5-oxo-5-[4-(1,3-thiazol-2-yl)anilino]pentanoic acid
CID 64888719
5-amino-N-(4-fluorophenyl)hexanamide
CID 82848209
5-amino-N-(4-bromophenyl)hexanamide
CID 82848125
N-[4-(1,3-thiazol-2-yl)phenyl]-3-thiophen-2-ylpropanamide
CID 9114606
2-amino-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide
CID 62473394
N-(4-methylphenyl)-2-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]sulfanylacetamide
CID 27701903

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide?
The IUPAC name of 5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide (CID 82852078) is 5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide.
What is the SMILES notation for 5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide?
The canonical SMILES for 5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide is CC(N)CCCC(=O)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of 5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide?
The InChIKey is XXGCCDPKFUIBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11(16)3-2-4-14(19)18-13-7-5-12(6-8-13)15-17-9-10-20-15/h5-11H,2-4,16H2,1H3,(H,18,19).
What are the key properties of 5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide?
5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide has a molecular weight of 289.40 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide is sourced from PubChem (CID 82852078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).