N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide

C16H14N2OS2 — CID 72717897

IUPACN-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(c1ccc2ncsc2c1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C16H14N2OS2/c19-16(12-1-4-14-15(7-12)21-10-17-14)18(13-2-3-13)8-11-5-6-20-9-11/h1,4-7,9-10,13H,2-3,8H2
InChIKeyWIZRMHNCOZQZNX-UHFFFAOYSA-N
MW314.44 g/mol
LogP4.16
Rot. Bonds4

About N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide

N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 72717897) has the molecular formula C16H14N2OS2 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
PubChem CID72717897
Molecular FormulaC16H14N2OS2
Molecular Weight314.44 g/mol
Exact Mass314.05
IUPAC NameN-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(c1ccc2ncsc2c1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C16H14N2OS2/c19-16(12-1-4-14-15(7-12)21-10-17-14)18(13-2-3-13)8-11-5-6-20-9-11/h1,4-7,9-10,13H,2-3,8H2
InChIKeyWIZRMHNCOZQZNX-UHFFFAOYSA-N
XLogP4.16
TPSA33.20 Ų
H-Bond Donors
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 ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 56744170
3-[1,3-benzothiazole-6-carbonyl(cyclopropyl)amino]propanoic acid
CID 60845605
N-cyclopropyl-3-iodo-N-(thiophen-3-ylmethyl)benzamide
CID 61400460
N-cyclopropyl-2-(dimethylamino)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 51095237
N-cyclopropyl-2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 62174755
N-cyclopropyl-3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)benzamide
CID 72717904
6-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
CID 113346712
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzamide
CID 55138412
N-cyclopropyl-3-[4-(methylamino)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)benzamide
CID 122565811
N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)benzamide
CID 51055390
2-amino-N-cyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62508692
4-amino-N-cyclopropyl-6-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 81240954

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide (CID 72717897) is N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide is O=C(c1ccc2ncsc2c1)N(Cc1ccsc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is WIZRMHNCOZQZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS2/c19-16(12-1-4-14-15(7-12)21-10-17-14)18(13-2-3-13)8-11-5-6-20-9-11/h1,4-7,9-10,13H,2-3,8H2.
What are the key properties of N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide?
N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 314.44 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 72717897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).