1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide

C13H14ClN3OS — CID 154829671

IUPAC1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCc1ccc(Cl)c2sc(N3CCCC3C(N)=O)nc12
InChIInChI=1S/C13H14ClN3OS/c1-7-4-5-8(14)11-10(7)16-13(19-11)17-6-2-3-9(17)12(15)18/h4-5,9H,2-3,6H2,1H3,(H2,15,18)
InChIKeyKQOVMYALECUNSD-UHFFFAOYSA-N
MW295.80 g/mol
LogP2.71
Rot. Bonds2

About 1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide

1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 154829671) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID154829671
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCc1ccc(Cl)c2sc(N3CCCC3C(N)=O)nc12
InChIInChI=1S/C13H14ClN3OS/c1-7-4-5-8(14)11-10(7)16-13(19-11)17-6-2-3-9(17)12(15)18/h4-5,9H,2-3,6H2,1H3,(H2,15,18)
InChIKeyKQOVMYALECUNSD-UHFFFAOYSA-N
XLogP2.71
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-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

1-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 154829551
[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol
CID 146074445
1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 133424929
2-[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol
CID 172904123
1-(4-chloro-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 83155605
1-(7-oxo-5-phenyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 166172003
2-[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole
CID 155975143
1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 63736298
2-(2-carbamoylpyrrolidin-1-yl)-5-methyl-1,3-benzoxazole-4-carboxylic acid
CID 68865001
[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone
CID 25267807
(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 70876168
[(2R)-1-(5-chloro-8-methylquinolin-2-yl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
CID 97257203

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide (CID 154829671) is 1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide is Cc1ccc(Cl)c2sc(N3CCCC3C(N)=O)nc12.
What is the InChIKey of 1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is KQOVMYALECUNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-7-4-5-8(14)11-10(7)16-13(19-11)17-6-2-3-9(17)12(15)18/h4-5,9H,2-3,6H2,1H3,(H2,15,18).
What are the key properties of 1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide?
1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 295.80 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 154829671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).