N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3,5,5-trimethylhexanamide

C15H22N2O2S — CID 60800671

IUPACN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)Nc1ncc(C#CCO)s1)CC(C)(C)C
InChIInChI=1S/C15H22N2O2S/c1-11(9-15(2,3)4)8-13(19)17-14-16-10-12(20-14)6-5-7-18/h10-11,18H,7-9H2,1-4H3,(H,16,17,19)
InChIKeyFJNWTKJZGYDBHD-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.89
Rot. Bonds4

About N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3,5,5-trimethylhexanamide

N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3,5,5-trimethylhexanamide (PubChem CID 60800671) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3,5,5-trimethylhexanamide
PubChem CID60800671
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)Nc1ncc(C#CCO)s1)CC(C)(C)C
InChIInChI=1S/C15H22N2O2S/c1-11(9-15(2,3)4)8-13(19)17-14-16-10-12(20-14)6-5-7-18/h10-11,18H,7-9H2,1-4H3,(H,16,17,19)
InChIKeyFJNWTKJZGYDBHD-UHFFFAOYSA-N
XLogP2.89
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3,5,5-trimethylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-N-(5-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 8151663
N-(5-methyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2579380
2-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2673091
3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 897357
4-methyl-N-(5-methyl-1,3-thiazol-2-yl)pentanamide
CID 25661258
N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]cyclopentanecarboxamide
CID 40151424
(2S)-N-(5-cyano-1,3-thiazol-2-yl)-2-methylhexanamide
CID 164639869
4,4,4-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]butanamide
CID 65713800
4,4-difluoro-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 81930533
4,4-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 81933124
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-4,4-difluorocyclohexane-1-carboxamide
CID 81933143
3,3-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 8919545

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3,5,5-trimethylhexanamide?
The IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3,5,5-trimethylhexanamide (CID 60800671) is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3,5,5-trimethylhexanamide.
What is the SMILES notation for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3,5,5-trimethylhexanamide?
The canonical SMILES for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3,5,5-trimethylhexanamide is CC(CC(=O)Nc1ncc(C#CCO)s1)CC(C)(C)C.
What is the InChIKey of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3,5,5-trimethylhexanamide?
The InChIKey is FJNWTKJZGYDBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11(9-15(2,3)4)8-13(19)17-14-16-10-12(20-14)6-5-7-18/h10-11,18H,7-9H2,1-4H3,(H,16,17,19).
What are the key properties of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3,5,5-trimethylhexanamide?
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3,5,5-trimethylhexanamide has a molecular weight of 294.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3,5,5-trimethylhexanamide is sourced from PubChem (CID 60800671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).