N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide

C36H64N4O2S2 — CID 139176889

IUPACN-(4-methyl-1,3-thiazol-2-yl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)Nc1nc(C)cs1.CCCCCCCCCCCCCC(=O)Nc1nc(C)cs1
InChIInChI=1S/2C18H32N2OS/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-17(21)20-18-19-16(2)15-22-18/h2*15H,3-14H2,1-2H3,(H,19,20,21)
InChIKeyVOPCYWIGCCGVCH-UHFFFAOYSA-N
MW649.07 g/mol
LogP12.18
Rot. Bonds26

About N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide

N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide (PubChem CID 139176889) has the molecular formula C36H64N4O2S2 and a molecular weight of 649.07 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)tetradecanamide
PubChem CID139176889
Molecular FormulaC36H64N4O2S2
Molecular Weight649.07 g/mol
Exact Mass648.45
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)Nc1nc(C)cs1.CCCCCCCCCCCCCC(=O)Nc1nc(C)cs1
InChIInChI=1S/2C18H32N2OS/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-17(21)20-18-19-16(2)15-22-18/h2*15H,3-14H2,1-2H3,(H,19,20,21)
InChIKeyVOPCYWIGCCGVCH-UHFFFAOYSA-N
XLogP12.18
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.07
LogP ≤ 512.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 79198899
N-(4-acetyl-1,3-thiazol-2-yl)decanamide
CID 60729978
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide
CID 42769910
N-(4-propan-2-yl-1,3-thiazol-2-yl)octanamide
CID 55555526
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]heptanamide
CID 114753182
N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide
CID 3558431
N-(4-methyl-1,3-thiazol-2-yl)-4-(propan-2-ylamino)butanamide
CID 60850227
methyl 2-[2-(heptanoylamino)-1,3-thiazol-4-yl]acetate
CID 43431303
N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]nonanamide
CID 4188240
2-(4-butylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 30273255
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide
CID 4302943

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide (CID 139176889) is N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide is CCCCCCCCCCCCCC(=O)Nc1nc(C)cs1.CCCCCCCCCCCCCC(=O)Nc1nc(C)cs1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide?
The InChIKey is VOPCYWIGCCGVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H32N2OS/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-17(21)20-18-19-16(2)15-22-18/h2*15H,3-14H2,1-2H3,(H,19,20,21).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide?
N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide has a molecular weight of 649.07 g/mol, XLogP of 12.18, 26 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide is sourced from PubChem (CID 139176889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).