5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazol-4-amine

C14H18ClN3S — CID 62655447

IUPAC5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazol-4-amine
SMILESCN1CCC(CNc2c(Cl)ccc3scnc23)CC1
InChIInChI=1S/C14H18ClN3S/c1-18-6-4-10(5-7-18)8-16-13-11(15)2-3-12-14(13)17-9-19-12/h2-3,9-10,16H,4-8H2,1H3
InChIKeyFUGPCGCGBWKPLL-UHFFFAOYSA-N
MW295.84 g/mol
LogP3.70
Rot. Bonds3

About 5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazol-4-amine

5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazol-4-amine (PubChem CID 62655447) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazol-4-amine
PubChem CID62655447
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazol-4-amine
SMILESCN1CCC(CNc2c(Cl)ccc3scnc23)CC1
InChIInChI=1S/C14H18ClN3S/c1-18-6-4-10(5-7-18)8-16-13-11(15)2-3-12-14(13)17-9-19-12/h2-3,9-10,16H,4-8H2,1H3
InChIKeyFUGPCGCGBWKPLL-UHFFFAOYSA-N
XLogP3.70
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(1-methylazepan-4-yl)-1,3-benzothiazol-4-amine
CID 65070161
5-chloro-N-(piperidin-2-ylmethyl)-1,3-benzothiazol-4-amine
CID 106633191
5-chloro-N-(dicyclopropylmethyl)-1,3-benzothiazol-4-amine
CID 43674852
2,6-dichloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 83076576
5-chloro-N-(3-methoxycyclohexyl)-1,3-benzothiazol-4-amine
CID 106871633
N-[(2-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-4-amine
CID 43674813
N-[(4-bromo-3-methylphenyl)methyl]-5-chloro-1,3-benzothiazol-4-amine
CID 66473596
5-chloro-N-[(3,4,5-trifluorophenyl)methyl]-1,3-benzothiazol-4-amine
CID 63051536
5-chloro-N-(5-methylheptan-3-yl)-1,3-benzothiazol-4-amine
CID 43674821
2,6-difluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62655067
4-[[(5-chloro-1,3-benzothiazol-4-yl)amino]methyl]-2-methoxyphenol
CID 43674733
2-[[(5-chloro-1,3-benzothiazol-4-yl)amino]methyl]-5-methoxyphenol
CID 61262504

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazol-4-amine?
The IUPAC name of 5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazol-4-amine (CID 62655447) is 5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazol-4-amine is CN1CCC(CNc2c(Cl)ccc3scnc23)CC1.
What is the InChIKey of 5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazol-4-amine?
The InChIKey is FUGPCGCGBWKPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-18-6-4-10(5-7-18)8-16-13-11(15)2-3-12-14(13)17-9-19-12/h2-3,9-10,16H,4-8H2,1H3.
What are the key properties of 5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazol-4-amine?
5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazol-4-amine has a molecular weight of 295.84 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazol-4-amine is sourced from PubChem (CID 62655447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).