N-propyl-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide

C16H16N4OS — CID 117092605

IUPACN-propyl-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide
SMILESCCCNC(=O)c1ccc2nc(Nc3ccccn3)sc2c1
InChIInChI=1S/C16H16N4OS/c1-2-8-18-15(21)11-6-7-12-13(10-11)22-16(19-12)20-14-5-3-4-9-17-14/h3-7,9-10H,2,8H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyZWRBUIVSFQPYKH-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.57
Rot. Bonds5

About N-propyl-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide

N-propyl-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide (PubChem CID 117092605) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-propyl-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-propyl-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide
PubChem CID117092605
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-propyl-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide
SMILESCCCNC(=O)c1ccc2nc(Nc3ccccn3)sc2c1
InChIInChI=1S/C16H16N4OS/c1-2-8-18-15(21)11-6-7-12-13(10-11)22-16(19-12)20-14-5-3-4-9-17-14/h3-7,9-10H,2,8H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyZWRBUIVSFQPYKH-UHFFFAOYSA-N
XLogP3.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117087073
N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117093091
N-(2-morpholin-4-ylethyl)-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117088236
2-[(2-methylpyrazol-3-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide
CID 117081271
N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117091922
2-(pyridin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 117093154
6-ethyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
CID 132581598
N-(2-phenoxyethyl)-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117088450
6-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
CID 132581595
N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117089794
N-[2-(4-hydroxyphenyl)ethyl]-2-(isoquinolin-1-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117087850
2-[(1-benzylpiperidin-4-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide
CID 117084306

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-propyl-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide (CID 117092605) is N-propyl-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-propyl-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-propyl-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide is CCCNC(=O)c1ccc2nc(Nc3ccccn3)sc2c1.
What is the InChIKey of N-propyl-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide?
The InChIKey is ZWRBUIVSFQPYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-2-8-18-15(21)11-6-7-12-13(10-11)22-16(19-12)20-14-5-3-4-9-17-14/h3-7,9-10H,2,8H2,1H3,(H,18,21)(H,17,19,20).
What are the key properties of N-propyl-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide?
N-propyl-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 117092605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).