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

C15H15N5OS — CID 117087073

IUPACN-propyl-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide
SMILESCCCNC(=O)c1ccc2nc(Nc3ncccn3)sc2c1
InChIInChI=1S/C15H15N5OS/c1-2-6-16-13(21)10-4-5-11-12(9-10)22-15(19-11)20-14-17-7-3-8-18-14/h3-5,7-9H,2,6H2,1H3,(H,16,21)(H,17,18,19,20)
InChIKeyREOPFAZWDOJACP-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.97
Rot. Bonds5

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

N-propyl-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide (PubChem CID 117087073) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is N-propyl-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-propyl-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide
PubChem CID117087073
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC NameN-propyl-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide
SMILESCCCNC(=O)c1ccc2nc(Nc3ncccn3)sc2c1
InChIInChI=1S/C15H15N5OS/c1-2-6-16-13(21)10-4-5-11-12(9-10)22-15(19-11)20-14-17-7-3-8-18-14/h3-5,7-9H,2,6H2,1H3,(H,16,21)(H,17,18,19,20)
InChIKeyREOPFAZWDOJACP-UHFFFAOYSA-N
XLogP2.97
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-propyl-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propyl-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117092605
N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117091922
N-(2-phenoxyethyl)-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117088450
N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117089794
2-[(2-methylpyrazol-3-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide
CID 117081271
N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117093091
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
N-(2-morpholin-4-ylethyl)-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117088236
2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide
CID 60719150
N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-benzothiazole-6-carboxamide
CID 117080272
N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide
CID 60636547

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-propyl-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide (CID 117087073) is N-propyl-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-propyl-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-propyl-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide is CCCNC(=O)c1ccc2nc(Nc3ncccn3)sc2c1.
What is the InChIKey of N-propyl-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide?
The InChIKey is REOPFAZWDOJACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-2-6-16-13(21)10-4-5-11-12(9-10)22-15(19-11)20-14-17-7-3-8-18-14/h3-5,7-9H,2,6H2,1H3,(H,16,21)(H,17,18,19,20).
What are the key properties of N-propyl-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide?
N-propyl-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 117087073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).