6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-1,3-benzothiazol-2-amine

C14H15ClN2S — CID 114096567

IUPAC6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-1,3-benzothiazol-2-amine
SMILESClc1ccc2nc(NCC3(C4CC4)CC3)sc2c1
InChIInChI=1S/C14H15ClN2S/c15-10-3-4-11-12(7-10)18-13(17-11)16-8-14(5-6-14)9-1-2-9/h3-4,7,9H,1-2,5-6,8H2,(H,16,17)
InChIKeyQQDFPAIMYHECKZ-UHFFFAOYSA-N
MW278.81 g/mol
LogP4.55
Rot. Bonds4

About 6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-1,3-benzothiazol-2-amine

6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 114096567) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-1,3-benzothiazol-2-amine
PubChem CID114096567
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC Name6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-1,3-benzothiazol-2-amine
SMILESClc1ccc2nc(NCC3(C4CC4)CC3)sc2c1
InChIInChI=1S/C14H15ClN2S/c15-10-3-4-11-12(7-10)18-13(17-11)16-8-14(5-6-14)9-1-2-9/h3-4,7,9H,1-2,5-6,8H2,(H,16,17)
InChIKeyQQDFPAIMYHECKZ-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 79528936
6-chloro-N-(cyclobutylmethyl)-1,3-benzothiazol-2-amine
CID 79528767
6-chloro-N-(2,2-dicyclopropylethyl)-1,3-benzothiazol-2-amine
CID 79525165
6-chloro-N-(2-cyclobutylethyl)-1,3-benzothiazol-2-amine
CID 113479115
6-chloro-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 21241580
6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 104763243
6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 43969130
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
6-chloro-N-(2-cyclopropylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 114111762
6-chloro-N-(2,2-dimethylbutyl)-1,3-benzothiazol-2-amine
CID 103462911
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanesulfonamide
CID 108782575

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-1,3-benzothiazol-2-amine (CID 114096567) is 6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-1,3-benzothiazol-2-amine is Clc1ccc2nc(NCC3(C4CC4)CC3)sc2c1.
What is the InChIKey of 6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is QQDFPAIMYHECKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S/c15-10-3-4-11-12(7-10)18-13(17-11)16-8-14(5-6-14)9-1-2-9/h3-4,7,9H,1-2,5-6,8H2,(H,16,17).
What are the key properties of 6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-1,3-benzothiazol-2-amine?
6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 278.81 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 114096567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).