5-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)thiophene-2-carboxamide

C16H14N2OS2 — CID 33453322

IUPAC5-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)thiophene-2-carboxamide
SMILESO=C(NCC1CC1)c1ccc(-c2nc3ccccc3s2)s1
InChIInChI=1S/C16H14N2OS2/c19-15(17-9-10-5-6-10)13-7-8-14(20-13)16-18-11-3-1-2-4-12(11)21-16/h1-4,7-8,10H,5-6,9H2,(H,17,19)
InChIKeyHEFNIKJKQDSHDN-UHFFFAOYSA-N
MW314.44 g/mol
LogP4.16
Rot. Bonds4

About 5-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)thiophene-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)thiophene-2-carboxamide (PubChem CID 33453322) has the molecular formula C16H14N2OS2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)thiophene-2-carboxamide
PubChem CID33453322
Molecular FormulaC16H14N2OS2
Molecular Weight314.44 g/mol
Exact Mass314.05
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)thiophene-2-carboxamide
SMILESO=C(NCC1CC1)c1ccc(-c2nc3ccccc3s2)s1
InChIInChI=1S/C16H14N2OS2/c19-15(17-9-10-5-6-10)13-7-8-14(20-13)16-18-11-3-1-2-4-12(11)21-16/h1-4,7-8,10H,5-6,9H2,(H,17,19)
InChIKeyHEFNIKJKQDSHDN-UHFFFAOYSA-N
XLogP4.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-bis(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 5102836
5-(1,3-benzothiazol-2-yl)-N-[2-(benzylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 46461899
(4-aminopiperidin-1-yl)-[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]methanone
CID 119374461
5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide
CID 46518495
1-[2-[[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 56544449
5-(1,3-benzothiazol-2-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 4731587
[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-(3-ethyl-4-hydroxypyrrolidin-1-yl)methanone
CID 166188462
N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]-5-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 97061850
N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-cyclopentylthiophene-2-carboxamide
CID 71888539
azepan-1-yl-[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]methanone
CID 2394761
[2-(methylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 2436417
5-(1,3-benzothiazol-2-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]thiophene-2-carboxamide
CID 55662733

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)thiophene-2-carboxamide (CID 33453322) is 5-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)thiophene-2-carboxamide is O=C(NCC1CC1)c1ccc(-c2nc3ccccc3s2)s1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)thiophene-2-carboxamide?
The InChIKey is HEFNIKJKQDSHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS2/c19-15(17-9-10-5-6-10)13-7-8-14(20-13)16-18-11-3-1-2-4-12(11)21-16/h1-4,7-8,10H,5-6,9H2,(H,17,19).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)thiophene-2-carboxamide?
5-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)thiophene-2-carboxamide has a molecular weight of 314.44 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 33453322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).