5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine

C13H15ClN4S — CID 65474046

IUPAC5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine
SMILESClc1ccc2nsnc2c1NC1CCN(C2CC2)C1
InChIInChI=1S/C13H15ClN4S/c14-10-3-4-11-13(17-19-16-11)12(10)15-8-5-6-18(7-8)9-1-2-9/h3-4,8-9,15H,1-2,5-7H2
InChIKeyXIRDQVDEQRSFAO-UHFFFAOYSA-N
MW294.81 g/mol
LogP2.99
Rot. Bonds3

About 5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine

5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine (PubChem CID 65474046) has the molecular formula C13H15ClN4S and a molecular weight of 294.81 g/mol. Its IUPAC name is 5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine
PubChem CID65474046
Molecular FormulaC13H15ClN4S
Molecular Weight294.81 g/mol
Exact Mass294.07
IUPAC Name5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine
SMILESClc1ccc2nsnc2c1NC1CCN(C2CC2)C1
InChIInChI=1S/C13H15ClN4S/c14-10-3-4-11-13(17-19-16-11)12(10)15-8-5-6-18(7-8)9-1-2-9/h3-4,8-9,15H,1-2,5-7H2
InChIKeyXIRDQVDEQRSFAO-UHFFFAOYSA-N
XLogP2.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dichloro-N-(1-methylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine
CID 62977093
2,6-dichloro-1-N-(1-cyclopropylpyrrolidin-3-yl)benzene-1,4-diamine
CID 106890228
5-chloro-N-(2,2-dimethylcyclopentyl)-2,1,3-benzothiadiazol-4-amine
CID 79856538
5-chloro-N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-2,1,3-benzothiadiazol-4-amine
CID 82011101
5-chloro-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,1,3-benzothiadiazol-4-amine
CID 79900484
4-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]piperidine-1-carboxamide
CID 43790039
5-chloro-4-N-(1-cyclopropylpyrrolidin-3-yl)pyrimidine-2,4-diamine
CID 80813553
5-chloro-N-(oxan-4-ylmethyl)-2,1,3-benzothiadiazol-4-amine
CID 65473653
1-cyclopropyl-N-(2,6-difluorophenyl)pyrrolidin-3-amine
CID 62983179
5-chloro-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-2,1,3-benzothiadiazol-4-amine
CID 65474441
2-chloro-4-[(1-cyclopropylpyrrolidin-3-yl)amino]benzonitrile
CID 55153801
3-chloro-1-N-(1-cyclopropylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 62981650

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine (CID 65474046) is 5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine is Clc1ccc2nsnc2c1NC1CCN(C2CC2)C1.
What is the InChIKey of 5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine?
The InChIKey is XIRDQVDEQRSFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4S/c14-10-3-4-11-13(17-19-16-11)12(10)15-8-5-6-18(7-8)9-1-2-9/h3-4,8-9,15H,1-2,5-7H2.
What are the key properties of 5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine?
5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 294.81 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 65474046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).