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

C16H23N3OS — CID 106284715

IUPACN-[4-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide
SMILESCCC(CC)C1CN=C(Nc2ccc(NC(C)=O)cc2)S1
InChIInChI=1S/C16H23N3OS/c1-4-12(5-2)15-10-17-16(21-15)19-14-8-6-13(7-9-14)18-11(3)20/h6-9,12,15H,4-5,10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyLQISQGNVJGJLGQ-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.96
Rot. Bonds5

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

N-[4-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide (PubChem CID 106284715) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-[4-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide
PubChem CID106284715
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-[4-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide
SMILESCCC(CC)C1CN=C(Nc2ccc(NC(C)=O)cc2)S1
InChIInChI=1S/C16H23N3OS/c1-4-12(5-2)15-10-17-16(21-15)19-14-8-6-13(7-9-14)18-11(3)20/h6-9,12,15H,4-5,10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyLQISQGNVJGJLGQ-UHFFFAOYSA-N
XLogP3.96
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-iodophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284701
N-(3-bromo-4-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285273
1-[4-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 7084301
N-cyclopropyl-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284732
N-cyclopropyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetamide
CID 106284971
N-[(4-methylphenyl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284896
5-pentan-3-yl-N-(2,2,3-trimethylbutyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285842
5-pentan-3-yl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 114168314
N-(4-bromo-5-fluoro-2-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285684
N-(2-cyclopropylpropan-2-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285865
N'-ethyl-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 106285198
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide (CID 106284715) is N-[4-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide is CCC(CC)C1CN=C(Nc2ccc(NC(C)=O)cc2)S1.
What is the InChIKey of N-[4-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide?
The InChIKey is LQISQGNVJGJLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-4-12(5-2)15-10-17-16(21-15)19-14-8-6-13(7-9-14)18-11(3)20/h6-9,12,15H,4-5,10H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-[4-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide?
N-[4-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide has a molecular weight of 305.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 106284715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).