N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3-methylthiophene-2-carboxamide

C19H13ClN2OS2 — CID 8891857

IUPACN-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(c1cccc(Cl)c1)c1nc2ccccc2s1
InChIInChI=1S/C19H13ClN2OS2/c1-12-9-10-24-17(12)18(23)22(14-6-4-5-13(20)11-14)19-21-15-7-2-3-8-16(15)25-19/h2-11H,1H3
InChIKeyXOGNEDZSXFCJAC-UHFFFAOYSA-N
MW384.91 g/mol
LogP6.30
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3-methylthiophene-2-carboxamide

N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3-methylthiophene-2-carboxamide (PubChem CID 8891857) has the molecular formula C19H13ClN2OS2 and a molecular weight of 384.91 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3-methylthiophene-2-carboxamide
PubChem CID8891857
Molecular FormulaC19H13ClN2OS2
Molecular Weight384.91 g/mol
Exact Mass384.02
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(c1cccc(Cl)c1)c1nc2ccccc2s1
InChIInChI=1S/C19H13ClN2OS2/c1-12-9-10-24-17(12)18(23)22(14-6-4-5-13(20)11-14)19-21-15-7-2-3-8-16(15)25-19/h2-11H,1H3
InChIKeyXOGNEDZSXFCJAC-UHFFFAOYSA-N
XLogP6.30
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.91
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3,3-diphenylpropanamide
CID 2477898
N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 2526399
1-(1,3-benzothiazol-2-yl)-1-(3-chlorophenyl)-3-(2,4-dichlorophenyl)thiourea
CID 2796831
N-(1,3-benzothiazol-2-yl)-4-chloro-N-(2-chloro-3-methylphenyl)benzamide
CID 2384867
N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 4851898
N-(1,3-benzothiazol-2-yl)-2-chloro-N-(4-methoxyphenyl)benzamide
CID 11280885
N-(1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-diethoxyphenyl)benzamide
CID 11419624
N-(1,3-benzothiazol-2-yl)-4-chloro-N-(4-ethylphenyl)benzamide
CID 2345159
N-(1,3-benzothiazol-2-yl)-3-chloro-N-[3-(dimethylamino)propyl]benzamide
CID 7577445
1-(1,3-benzothiazol-2-yl)-1-phenylurea;dihydrochloride
CID 175170156
N-(1,3-benzothiazol-2-yl)-2,6-dichloro-N-(2,6-dichlorobenzoyl)benzamide
CID 4625786
N-[4-(aminomethoxy)phenyl]-N-(1,3-benzothiazol-2-yl)-2,4-dichlorobenzamide
CID 142980039

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3-methylthiophene-2-carboxamide (CID 8891857) is N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)N(c1cccc(Cl)c1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3-methylthiophene-2-carboxamide?
The InChIKey is XOGNEDZSXFCJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2OS2/c1-12-9-10-24-17(12)18(23)22(14-6-4-5-13(20)11-14)19-21-15-7-2-3-8-16(15)25-19/h2-11H,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3-methylthiophene-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3-methylthiophene-2-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 6.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 8891857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).