5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-benzothiazol-2-amine

C15H20ClN3S — CID 62992189

IUPAC5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-benzothiazol-2-amine
SMILESCC(CNc1nc2cc(Cl)ccc2s1)CN1CCCC1
InChIInChI=1S/C15H20ClN3S/c1-11(10-19-6-2-3-7-19)9-17-15-18-13-8-12(16)4-5-14(13)20-15/h4-5,8,11H,2-3,6-7,9-10H2,1H3,(H,17,18)
InChIKeyNLASLZKCZARSQN-UHFFFAOYSA-N
MW309.87 g/mol
LogP4.09
Rot. Bonds5

About 5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-benzothiazol-2-amine

5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-benzothiazol-2-amine (PubChem CID 62992189) has the molecular formula C15H20ClN3S and a molecular weight of 309.87 g/mol. Its IUPAC name is 5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-benzothiazol-2-amine
PubChem CID62992189
Molecular FormulaC15H20ClN3S
Molecular Weight309.87 g/mol
Exact Mass309.11
IUPAC Name5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-benzothiazol-2-amine
SMILESCC(CNc1nc2cc(Cl)ccc2s1)CN1CCCC1
InChIInChI=1S/C15H20ClN3S/c1-11(10-19-6-2-3-7-19)9-17-15-18-13-8-12(16)4-5-14(13)20-15/h4-5,8,11H,2-3,6-7,9-10H2,1H3,(H,17,18)
InChIKeyNLASLZKCZARSQN-UHFFFAOYSA-N
XLogP4.09
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.87
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-amine
CID 47283339
5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906846
6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 79526067
4,5-dimethyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-thiazol-2-amine
CID 65169907
5-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 43371237
5-chloro-2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazole
CID 164753506
N-(1-piperidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 54937957
2-[(5-chloro-1,3-benzothiazol-2-yl)amino]-N-ethylacetamide
CID 43566527
5-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3-benzothiazol-2-amine
CID 114117309
3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine
CID 65268166
5-chloro-N-(2-cyclohexylethyl)-1,3-benzothiazol-2-amine
CID 63545700
5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 79072334

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-benzothiazol-2-amine (CID 62992189) is 5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-benzothiazol-2-amine is CC(CNc1nc2cc(Cl)ccc2s1)CN1CCCC1.
What is the InChIKey of 5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-benzothiazol-2-amine?
The InChIKey is NLASLZKCZARSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3S/c1-11(10-19-6-2-3-7-19)9-17-15-18-13-8-12(16)4-5-14(13)20-15/h4-5,8,11H,2-3,6-7,9-10H2,1H3,(H,17,18).
What are the key properties of 5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-benzothiazol-2-amine?
5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-benzothiazol-2-amine has a molecular weight of 309.87 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 62992189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).