5,7-dichloro-N-ethyl-4-propoxy-1,3-benzothiazol-2-amine

C12H14Cl2N2OS — CID 82548631

IUPAC5,7-dichloro-N-ethyl-4-propoxy-1,3-benzothiazol-2-amine
SMILESCCCOc1c(Cl)cc(Cl)c2sc(NCC)nc12
InChIInChI=1S/C12H14Cl2N2OS/c1-3-5-17-10-7(13)6-8(14)11-9(10)16-12(18-11)15-4-2/h6H,3-5H2,1-2H3,(H,15,16)
InChIKeyCAKDYGRXNFEOPT-UHFFFAOYSA-N
MW305.23 g/mol
LogP4.82
Rot. Bonds5

About 5,7-dichloro-N-ethyl-4-propoxy-1,3-benzothiazol-2-amine

5,7-dichloro-N-ethyl-4-propoxy-1,3-benzothiazol-2-amine (PubChem CID 82548631) has the molecular formula C12H14Cl2N2OS and a molecular weight of 305.23 g/mol. Its IUPAC name is 5,7-dichloro-N-ethyl-4-propoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5,7-dichloro-N-ethyl-4-propoxy-1,3-benzothiazol-2-amine
PubChem CID82548631
Molecular FormulaC12H14Cl2N2OS
Molecular Weight305.23 g/mol
Exact Mass304.02
IUPAC Name5,7-dichloro-N-ethyl-4-propoxy-1,3-benzothiazol-2-amine
SMILESCCCOc1c(Cl)cc(Cl)c2sc(NCC)nc12
InChIInChI=1S/C12H14Cl2N2OS/c1-3-5-17-10-7(13)6-8(14)11-9(10)16-12(18-11)15-4-2/h6H,3-5H2,1-2H3,(H,15,16)
InChIKeyCAKDYGRXNFEOPT-UHFFFAOYSA-N
XLogP4.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.23
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dichloro-N-ethyl-4-methoxy-1,3-benzothiazol-2-amine
CID 82548641
5,7-dichloro-4-methoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82548640
5,7-dichloro-4-ethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82548636
6-chloro-N-methyl-4,7-dipropoxy-1,3-benzothiazol-2-amine
CID 82548540
methyl 4-chloro-2-(ethylamino)-7-methoxy-1,3-benzothiazole-6-carboxylate
CID 82549216
6-chloro-4,7-dimethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549360
N-ethyl-6-propoxy-1,3-benzothiazol-2-amine
CID 82105820
2,4-dichloro-1-propoxynaphthalene
CID 70099872
8-butoxy-5,7-dichloro-2-methylquinoxaline
CID 70883664
3,5-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide
CID 18848688
4-(4-chlorophenyl)-N-[(Z)-(3,5-dichloro-4-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110530317
5-chloro-N-ethyl-6-methyl-1,3-benzothiazol-2-amine
CID 82549231

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-ethyl-4-propoxy-1,3-benzothiazol-2-amine?
The IUPAC name of 5,7-dichloro-N-ethyl-4-propoxy-1,3-benzothiazol-2-amine (CID 82548631) is 5,7-dichloro-N-ethyl-4-propoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5,7-dichloro-N-ethyl-4-propoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for 5,7-dichloro-N-ethyl-4-propoxy-1,3-benzothiazol-2-amine is CCCOc1c(Cl)cc(Cl)c2sc(NCC)nc12.
What is the InChIKey of 5,7-dichloro-N-ethyl-4-propoxy-1,3-benzothiazol-2-amine?
The InChIKey is CAKDYGRXNFEOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2OS/c1-3-5-17-10-7(13)6-8(14)11-9(10)16-12(18-11)15-4-2/h6H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 5,7-dichloro-N-ethyl-4-propoxy-1,3-benzothiazol-2-amine?
5,7-dichloro-N-ethyl-4-propoxy-1,3-benzothiazol-2-amine has a molecular weight of 305.23 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-ethyl-4-propoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82548631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).