N-(2-cyclopropylethyl)-N-methyl-1,3-benzothiazol-2-amine

C13H16N2S — CID 133398444

IUPACN-(2-cyclopropylethyl)-N-methyl-1,3-benzothiazol-2-amine
SMILESCN(CCC1CC1)c1nc2ccccc2s1
InChIInChI=1S/C13H16N2S/c1-15(9-8-10-6-7-10)13-14-11-4-2-3-5-12(11)16-13/h2-5,10H,6-9H2,1H3
InChIKeyGOLRMFMZNZJNFI-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.53
Rot. Bonds4

About N-(2-cyclopropylethyl)-N-methyl-1,3-benzothiazol-2-amine

N-(2-cyclopropylethyl)-N-methyl-1,3-benzothiazol-2-amine (PubChem CID 133398444) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-N-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-N-methyl-1,3-benzothiazol-2-amine
PubChem CID133398444
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-(2-cyclopropylethyl)-N-methyl-1,3-benzothiazol-2-amine
SMILESCN(CCC1CC1)c1nc2ccccc2s1
InChIInChI=1S/C13H16N2S/c1-15(9-8-10-6-7-10)13-14-11-4-2-3-5-12(11)16-13/h2-5,10H,6-9H2,1H3
InChIKeyGOLRMFMZNZJNFI-UHFFFAOYSA-N
XLogP3.53
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroethyl)-N-methyl-1,3-benzothiazol-2-amine
CID 63392267
N-methyl-N-(pyrrolidin-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 71642311
N-(2-cyclopropylethyl)-N-methylquinolin-2-amine
CID 133398513
4-N-(1,3-benzothiazol-2-yl)-4-N-methylcyclohexane-1,4-diamine
CID 79116231
N-tert-butyl-N-methyl-1,3-benzothiazol-2-amine
CID 168757730
N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 141142591
N-(2-cyclopentylethyl)-N-methyl-1H-benzimidazol-2-amine
CID 115143924
N-(2-chloroethyl)-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 102871700
N-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 37144332
2-N-(cyclopropylmethyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 63231248
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide
CID 90605360
2-[1,3-benzothiazol-2-yl(methyl)amino]-N,N-dipropylacetamide
CID 90605326

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-N-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2-cyclopropylethyl)-N-methyl-1,3-benzothiazol-2-amine (CID 133398444) is N-(2-cyclopropylethyl)-N-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2-cyclopropylethyl)-N-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2-cyclopropylethyl)-N-methyl-1,3-benzothiazol-2-amine is CN(CCC1CC1)c1nc2ccccc2s1.
What is the InChIKey of N-(2-cyclopropylethyl)-N-methyl-1,3-benzothiazol-2-amine?
The InChIKey is GOLRMFMZNZJNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-15(9-8-10-6-7-10)13-14-11-4-2-3-5-12(11)16-13/h2-5,10H,6-9H2,1H3.
What are the key properties of N-(2-cyclopropylethyl)-N-methyl-1,3-benzothiazol-2-amine?
N-(2-cyclopropylethyl)-N-methyl-1,3-benzothiazol-2-amine has a molecular weight of 232.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-N-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 133398444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).