5-chloro-N-(1-methylazepan-4-yl)-1,3-benzothiazol-4-amine

C14H18ClN3S — CID 65070161

IUPAC5-chloro-N-(1-methylazepan-4-yl)-1,3-benzothiazol-4-amine
SMILESCN1CCCC(Nc2c(Cl)ccc3scnc23)CC1
InChIInChI=1S/C14H18ClN3S/c1-18-7-2-3-10(6-8-18)17-13-11(15)4-5-12-14(13)16-9-19-12/h4-5,9-10,17H,2-3,6-8H2,1H3
InChIKeyTXLULUSLOTXYJF-UHFFFAOYSA-N
MW295.84 g/mol
LogP3.85
Rot. Bonds2

About 5-chloro-N-(1-methylazepan-4-yl)-1,3-benzothiazol-4-amine

5-chloro-N-(1-methylazepan-4-yl)-1,3-benzothiazol-4-amine (PubChem CID 65070161) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 5-chloro-N-(1-methylazepan-4-yl)-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-(1-methylazepan-4-yl)-1,3-benzothiazol-4-amine
PubChem CID65070161
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name5-chloro-N-(1-methylazepan-4-yl)-1,3-benzothiazol-4-amine
SMILESCN1CCCC(Nc2c(Cl)ccc3scnc23)CC1
InChIInChI=1S/C14H18ClN3S/c1-18-7-2-3-10(6-8-18)17-13-11(15)4-5-12-14(13)16-9-19-12/h4-5,9-10,17H,2-3,6-8H2,1H3
InChIKeyTXLULUSLOTXYJF-UHFFFAOYSA-N
XLogP3.85
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-piperidin-4-yl-1,3-benzothiazol-4-amine
CID 54902456
5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazol-4-amine
CID 62655447
5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3-benzothiazol-4-amine
CID 82853450
5-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzothiazol-4-amine
CID 43674903
5-chloro-N-(dicyclopropylmethyl)-1,3-benzothiazol-4-amine
CID 43674852
tert-butyl N-[3-[(5-chloro-1,3-benzothiazol-4-yl)amino]cyclobutyl]carbamate
CID 103759396
5-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]-1,3-benzothiazol-4-amine
CID 66162297
N-(1-methylazepan-4-yl)-1,3-benzothiazole-5-carboxamide
CID 142009418
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylazepan-4-amine
CID 65070393
N-(2-chloro-4-methylphenyl)-1-methylazepan-4-amine
CID 65071149
5-chloro-N-(piperidin-2-ylmethyl)-1,3-benzothiazol-4-amine
CID 106633191
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylazepan-4-amine
CID 65070888

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-methylazepan-4-yl)-1,3-benzothiazol-4-amine?
The IUPAC name of 5-chloro-N-(1-methylazepan-4-yl)-1,3-benzothiazol-4-amine (CID 65070161) is 5-chloro-N-(1-methylazepan-4-yl)-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-chloro-N-(1-methylazepan-4-yl)-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-chloro-N-(1-methylazepan-4-yl)-1,3-benzothiazol-4-amine is CN1CCCC(Nc2c(Cl)ccc3scnc23)CC1.
What is the InChIKey of 5-chloro-N-(1-methylazepan-4-yl)-1,3-benzothiazol-4-amine?
The InChIKey is TXLULUSLOTXYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-18-7-2-3-10(6-8-18)17-13-11(15)4-5-12-14(13)16-9-19-12/h4-5,9-10,17H,2-3,6-8H2,1H3.
What are the key properties of 5-chloro-N-(1-methylazepan-4-yl)-1,3-benzothiazol-4-amine?
5-chloro-N-(1-methylazepan-4-yl)-1,3-benzothiazol-4-amine has a molecular weight of 295.84 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-methylazepan-4-yl)-1,3-benzothiazol-4-amine is sourced from PubChem (CID 65070161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).