N-[(1-methylsulfanylcyclopentyl)methyl]-2,1-benzothiazol-3-amine

C14H18N2S2 — CID 114116995

IUPACN-[(1-methylsulfanylcyclopentyl)methyl]-2,1-benzothiazol-3-amine
SMILESCSC1(CNc2snc3ccccc23)CCCC1
InChIInChI=1S/C14H18N2S2/c1-17-14(8-4-5-9-14)10-15-13-11-6-2-3-7-12(11)16-18-13/h2-3,6-7,15H,4-5,8-10H2,1H3
InChIKeyYOBRJYFPYFRRPL-UHFFFAOYSA-N
MW278.45 g/mol
LogP4.38
Rot. Bonds4

About N-[(1-methylsulfanylcyclopentyl)methyl]-2,1-benzothiazol-3-amine

N-[(1-methylsulfanylcyclopentyl)methyl]-2,1-benzothiazol-3-amine (PubChem CID 114116995) has the molecular formula C14H18N2S2 and a molecular weight of 278.45 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclopentyl)methyl]-2,1-benzothiazol-3-amine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclopentyl)methyl]-2,1-benzothiazol-3-amine
PubChem CID114116995
Molecular FormulaC14H18N2S2
Molecular Weight278.45 g/mol
Exact Mass278.09
IUPAC NameN-[(1-methylsulfanylcyclopentyl)methyl]-2,1-benzothiazol-3-amine
SMILESCSC1(CNc2snc3ccccc23)CCCC1
InChIInChI=1S/C14H18N2S2/c1-17-14(8-4-5-9-14)10-15-13-11-6-2-3-7-12(11)16-18-13/h2-3,6-7,15H,4-5,8-10H2,1H3
InChIKeyYOBRJYFPYFRRPL-UHFFFAOYSA-N
XLogP4.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2,1-benzothiazol-3-ylamino)methyl]cyclopentyl]methanol
CID 113294048
1-[(2,1-benzothiazol-3-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol
CID 66354873
1-[(2,1-benzothiazol-3-ylamino)methyl]-4-methylcyclohexan-1-ol
CID 66354872
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2,1-benzothiazol-3-amine
CID 113263918
4-[(1-methylsulfanylcyclobutyl)methylamino]cinnoline-3-carbonitrile
CID 107268715
3-[(2,1-benzothiazol-3-ylamino)methyl]oxolan-3-ol
CID 103847671
4-[(2,1-benzothiazol-3-ylamino)methyl]oxane-4-carboxylic acid
CID 115438678
N-[(1-methylsulfanylcyclobutyl)methyl]-1H-benzimidazol-2-amine
CID 107268802
N-(3,3-dimethylbutyl)-2,1-benzothiazol-3-amine
CID 115613150
N-(2-chloroethyl)-2,1-benzothiazol-3-amine
CID 66354488
2-[[(1-methylsulfanylcyclopentyl)methylamino]methyl]-3H-quinazolin-4-one
CID 136762570
N-[(1-methylsulfanylcyclobutyl)methyl]thiadiazol-5-amine
CID 130506255

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclopentyl)methyl]-2,1-benzothiazol-3-amine?
The IUPAC name of N-[(1-methylsulfanylcyclopentyl)methyl]-2,1-benzothiazol-3-amine (CID 114116995) is N-[(1-methylsulfanylcyclopentyl)methyl]-2,1-benzothiazol-3-amine.
What is the SMILES notation for N-[(1-methylsulfanylcyclopentyl)methyl]-2,1-benzothiazol-3-amine?
The canonical SMILES for N-[(1-methylsulfanylcyclopentyl)methyl]-2,1-benzothiazol-3-amine is CSC1(CNc2snc3ccccc23)CCCC1.
What is the InChIKey of N-[(1-methylsulfanylcyclopentyl)methyl]-2,1-benzothiazol-3-amine?
The InChIKey is YOBRJYFPYFRRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S2/c1-17-14(8-4-5-9-14)10-15-13-11-6-2-3-7-12(11)16-18-13/h2-3,6-7,15H,4-5,8-10H2,1H3.
What are the key properties of N-[(1-methylsulfanylcyclopentyl)methyl]-2,1-benzothiazol-3-amine?
N-[(1-methylsulfanylcyclopentyl)methyl]-2,1-benzothiazol-3-amine has a molecular weight of 278.45 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclopentyl)methyl]-2,1-benzothiazol-3-amine is sourced from PubChem (CID 114116995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).