N-(3-methylbutyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide

C15H20N2OS2 — CID 20996470

IUPACN-(3-methylbutyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(-c2cccs2)c(CC(=O)NCCC(C)C)s1
InChIInChI=1S/C15H20N2OS2/c1-10(2)6-7-16-14(18)9-13-15(17-11(3)20-13)12-5-4-8-19-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyPMGCHQAHHHHSHD-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.88
Rot. Bonds6

About N-(3-methylbutyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide

N-(3-methylbutyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 20996470) has the molecular formula C15H20N2OS2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
PubChem CID20996470
Molecular FormulaC15H20N2OS2
Molecular Weight308.47 g/mol
Exact Mass308.10
IUPAC NameN-(3-methylbutyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(-c2cccs2)c(CC(=O)NCCC(C)C)s1
InChIInChI=1S/C15H20N2OS2/c1-10(2)6-7-16-14(18)9-13-15(17-11(3)20-13)12-5-4-8-19-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyPMGCHQAHHHHSHD-UHFFFAOYSA-N
XLogP3.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 20995799
2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 20995860
N-(4-methoxyphenyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 9125297
N-(3-methylbutyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879449
N-(3,5-dimethoxyphenyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 36765569
N-(3-chloro-2-methylphenyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 20995847
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 20995876
N-(1-benzylpiperidin-4-yl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 36762015
N-(3-methylbutyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide
CID 18107709
N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336057
N-(3-methylbutyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide
CID 20907262
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-pentylacetamide
CID 29435290

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide (CID 20996470) is N-(3-methylbutyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide is Cc1nc(-c2cccs2)c(CC(=O)NCCC(C)C)s1.
What is the InChIKey of N-(3-methylbutyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is PMGCHQAHHHHSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS2/c1-10(2)6-7-16-14(18)9-13-15(17-11(3)20-13)12-5-4-8-19-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,18).
What are the key properties of N-(3-methylbutyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
N-(3-methylbutyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 308.47 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 20996470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).