4,7-dichloro-N-piperidin-4-yl-1,3-benzothiazol-2-amine

C12H13Cl2N3S — CID 82192099

IUPAC4,7-dichloro-N-piperidin-4-yl-1,3-benzothiazol-2-amine
SMILESClc1ccc(Cl)c2sc(NC3CCNCC3)nc12
InChIInChI=1S/C12H13Cl2N3S/c13-8-1-2-9(14)11-10(8)17-12(18-11)16-7-3-5-15-6-4-7/h1-2,7,15H,3-6H2,(H,16,17)
InChIKeyPYMMLYMRXXGUGD-UHFFFAOYSA-N
MW302.23 g/mol
LogP3.77
Rot. Bonds2

About 4,7-dichloro-N-piperidin-4-yl-1,3-benzothiazol-2-amine

4,7-dichloro-N-piperidin-4-yl-1,3-benzothiazol-2-amine (PubChem CID 82192099) has the molecular formula C12H13Cl2N3S and a molecular weight of 302.23 g/mol. Its IUPAC name is 4,7-dichloro-N-piperidin-4-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4,7-dichloro-N-piperidin-4-yl-1,3-benzothiazol-2-amine
PubChem CID82192099
Molecular FormulaC12H13Cl2N3S
Molecular Weight302.23 g/mol
Exact Mass301.02
IUPAC Name4,7-dichloro-N-piperidin-4-yl-1,3-benzothiazol-2-amine
SMILESClc1ccc(Cl)c2sc(NC3CCNCC3)nc12
InChIInChI=1S/C12H13Cl2N3S/c13-8-1-2-9(14)11-10(8)17-12(18-11)16-7-3-5-15-6-4-7/h1-2,7,15H,3-6H2,(H,16,17)
InChIKeyPYMMLYMRXXGUGD-UHFFFAOYSA-N
XLogP3.77
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine
CID 82192094
4-chloro-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine
CID 82192008
7-chloro-N-cyclohexyl-4-ethoxy-1,3-benzothiazol-2-amine
CID 82548927
4-methoxy-N-piperidin-4-yl-1,3-benzothiazol-2-amine
CID 82192101
5,7-dichloro-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine
CID 82192018
5-chloro-N-piperidin-4-yl-1,3-benzothiazol-4-amine
CID 54902456
4-chloro-N-cyclopentyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-amine
CID 82548993
3,5-dichloro-N-piperidin-4-ylpyridin-4-amine
CID 134359724
4-methyl-N-piperidin-4-yl-1,3-thiazol-2-amine
CID 24708198
N-(azepan-4-yl)-8-chloroquinolin-5-amine
CID 103981370
N-piperidin-4-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 164533286
5-(2-fluorophenyl)-2-N-piperidin-4-yl-1,3-thiazole-2,4-diamine
CID 174514403

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-N-piperidin-4-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 4,7-dichloro-N-piperidin-4-yl-1,3-benzothiazol-2-amine (CID 82192099) is 4,7-dichloro-N-piperidin-4-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4,7-dichloro-N-piperidin-4-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 4,7-dichloro-N-piperidin-4-yl-1,3-benzothiazol-2-amine is Clc1ccc(Cl)c2sc(NC3CCNCC3)nc12.
What is the InChIKey of 4,7-dichloro-N-piperidin-4-yl-1,3-benzothiazol-2-amine?
The InChIKey is PYMMLYMRXXGUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3S/c13-8-1-2-9(14)11-10(8)17-12(18-11)16-7-3-5-15-6-4-7/h1-2,7,15H,3-6H2,(H,16,17).
What are the key properties of 4,7-dichloro-N-piperidin-4-yl-1,3-benzothiazol-2-amine?
4,7-dichloro-N-piperidin-4-yl-1,3-benzothiazol-2-amine has a molecular weight of 302.23 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-N-piperidin-4-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82192099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).