5-chloro-N-(3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

C15H13ClN2OS2 — CID 16833163

IUPAC5-chloro-N-(3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESCCCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2ccccc21
InChIInChI=1S/C15H13ClN2OS2/c1-2-9-18-10-5-3-4-6-11(10)21-15(18)17-14(19)12-7-8-13(16)20-12/h3-8H,2,9H2,1H3/b17-15-
InChIKeyNWSPBPKTJZJEEW-ICFOKQHNSA-N
MW336.87 g/mol
LogP4.57
Rot. Bonds3

About 5-chloro-N-(3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

5-chloro-N-(3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (PubChem CID 16833163) has the molecular formula C15H13ClN2OS2 and a molecular weight of 336.87 g/mol. Its IUPAC name is 5-chloro-N-(3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
PubChem CID16833163
Molecular FormulaC15H13ClN2OS2
Molecular Weight336.87 g/mol
Exact Mass336.02
IUPAC Name5-chloro-N-(3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESCCCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2ccccc21
InChIInChI=1S/C15H13ClN2OS2/c1-2-9-18-10-5-3-4-6-11(10)21-15(18)17-14(19)12-7-8-13(16)20-12/h3-8H,2,9H2,1H3/b17-15-
InChIKeyNWSPBPKTJZJEEW-ICFOKQHNSA-N
XLogP4.57
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (CID 16833163) is 5-chloro-N-(3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is CCCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2ccccc21.
What is the InChIKey of 5-chloro-N-(3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The InChIKey is NWSPBPKTJZJEEW-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H13ClN2OS2/c1-2-9-18-10-5-3-4-6-11(10)21-15(18)17-14(19)12-7-8-13(16)20-12/h3-8H,2,9H2,1H3/b17-15-.
What are the key properties of 5-chloro-N-(3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
5-chloro-N-(3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide has a molecular weight of 336.87 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is sourced from PubChem (CID 16833163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).