N-cyclopentyl-5,7-dimethyl-1,3-benzothiazol-2-amine

C14H18N2S — CID 82549497

IUPACN-cyclopentyl-5,7-dimethyl-1,3-benzothiazol-2-amine
SMILESCc1cc(C)c2sc(NC3CCCC3)nc2c1
InChIInChI=1S/C14H18N2S/c1-9-7-10(2)13-12(8-9)16-14(17-13)15-11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3,(H,15,16)
InChIKeyXYFPZKGCPLQVFA-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.27
Rot. Bonds2

About N-cyclopentyl-5,7-dimethyl-1,3-benzothiazol-2-amine

N-cyclopentyl-5,7-dimethyl-1,3-benzothiazol-2-amine (PubChem CID 82549497) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-cyclopentyl-5,7-dimethyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-5,7-dimethyl-1,3-benzothiazol-2-amine
PubChem CID82549497
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-cyclopentyl-5,7-dimethyl-1,3-benzothiazol-2-amine
SMILESCc1cc(C)c2sc(NC3CCCC3)nc2c1
InChIInChI=1S/C14H18N2S/c1-9-7-10(2)13-12(8-9)16-14(17-13)15-11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3,(H,15,16)
InChIKeyXYFPZKGCPLQVFA-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885
5,7-dimethyl-N-propyl-1,3-benzothiazol-2-amine
CID 82549501
N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]acetonitrile
CID 134194948
N-(2,4,6-trimethylphenyl)cycloheptanamine
CID 63448201
N-cyclopentyl-5-methyl-6-propoxy-1,3-benzothiazol-2-amine
CID 82548384
N-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine
CID 82549533
2-cyclohexyl-1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CID 43982615
1-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-ethylurea
CID 121082538
5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine
CID 82549300
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
1-N-cyclopentyl-3,5-dimethylbenzene-1,2-diamine
CID 91671726

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5,7-dimethyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-cyclopentyl-5,7-dimethyl-1,3-benzothiazol-2-amine (CID 82549497) is N-cyclopentyl-5,7-dimethyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-cyclopentyl-5,7-dimethyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-cyclopentyl-5,7-dimethyl-1,3-benzothiazol-2-amine is Cc1cc(C)c2sc(NC3CCCC3)nc2c1.
What is the InChIKey of N-cyclopentyl-5,7-dimethyl-1,3-benzothiazol-2-amine?
The InChIKey is XYFPZKGCPLQVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-9-7-10(2)13-12(8-9)16-14(17-13)15-11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3,(H,15,16).
What are the key properties of N-cyclopentyl-5,7-dimethyl-1,3-benzothiazol-2-amine?
N-cyclopentyl-5,7-dimethyl-1,3-benzothiazol-2-amine has a molecular weight of 246.38 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5,7-dimethyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).