N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butanamide

C11H11ClN2OS2 — CID 5098079

IUPACN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C11H11ClN2OS2/c1-2-3-10(15)14-11-13-7(6-16-11)8-4-5-9(12)17-8/h4-6H,2-3H2,1H3,(H,13,14,15)
InChIKeyYKJDSCDAFUBVLW-UHFFFAOYSA-N
MW286.81 g/mol
LogP4.26
Rot. Bonds4

About N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butanamide

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butanamide (PubChem CID 5098079) has the molecular formula C11H11ClN2OS2 and a molecular weight of 286.81 g/mol. Its IUPAC name is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butanamide
PubChem CID5098079
Molecular FormulaC11H11ClN2OS2
Molecular Weight286.81 g/mol
Exact Mass286.00
IUPAC NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C11H11ClN2OS2/c1-2-3-10(15)14-11-13-7(6-16-11)8-4-5-9(12)17-8/h4-6H,2-3H2,1H3,(H,13,14,15)
InChIKeyYKJDSCDAFUBVLW-UHFFFAOYSA-N
XLogP4.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 854410
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 346935
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 4200465
N-[(4P)-2-(4-chloroanilino)-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]acetamide
CID 1123739
5-chloro-N-(4-(thiophen-2-yl)thiazol-2-yl)thiophene-2-carboxamide
CID 3567787
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 2168035
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-chlorothiophene-2-carboxamide
CID 1247280
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide
CID 4168447
4-(5-Chlorothiophen-2-yl)-1,3-thiazol-2-amine
CID 701782
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 3143144
N-[4-(5-chloro-2-thienyl)-1,3-thiazol-2-yl]benzamide
CID 801259
N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]thiophene-2-carboxamide
CID 1342967

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butanamide (CID 5098079) is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butanamide is CCCC(=O)Nc1nc(-c2ccc(Cl)s2)cs1.
What is the InChIKey of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is YKJDSCDAFUBVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS2/c1-2-3-10(15)14-11-13-7(6-16-11)8-4-5-9(12)17-8/h4-6H,2-3H2,1H3,(H,13,14,15).
What are the key properties of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butanamide?
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 286.81 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 5098079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).