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

C10H10Cl2N2OS — CID 82548641

IUPAC5,7-dichloro-N-ethyl-4-methoxy-1,3-benzothiazol-2-amine
SMILESCCNc1nc2c(OC)c(Cl)cc(Cl)c2s1
InChIInChI=1S/C10H10Cl2N2OS/c1-3-13-10-14-7-8(15-2)5(11)4-6(12)9(7)16-10/h4H,3H2,1-2H3,(H,13,14)
InChIKeyGDNYTNDPLWUMQI-UHFFFAOYSA-N
MW277.18 g/mol
LogP4.04
Rot. Bonds3

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

5,7-dichloro-N-ethyl-4-methoxy-1,3-benzothiazol-2-amine (PubChem CID 82548641) has the molecular formula C10H10Cl2N2OS and a molecular weight of 277.18 g/mol. Its IUPAC name is 5,7-dichloro-N-ethyl-4-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5,7-dichloro-N-ethyl-4-methoxy-1,3-benzothiazol-2-amine
PubChem CID82548641
Molecular FormulaC10H10Cl2N2OS
Molecular Weight277.18 g/mol
Exact Mass275.99
IUPAC Name5,7-dichloro-N-ethyl-4-methoxy-1,3-benzothiazol-2-amine
SMILESCCNc1nc2c(OC)c(Cl)cc(Cl)c2s1
InChIInChI=1S/C10H10Cl2N2OS/c1-3-13-10-14-7-8(15-2)5(11)4-6(12)9(7)16-10/h4H,3H2,1-2H3,(H,13,14)
InChIKeyGDNYTNDPLWUMQI-UHFFFAOYSA-N
XLogP4.04
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.18
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dichloro-4-methoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82548640
5,7-dichloro-N-ethyl-4-propoxy-1,3-benzothiazol-2-amine
CID 82548631
methyl 4-chloro-2-(ethylamino)-7-methoxy-1,3-benzothiazole-6-carboxylate
CID 82549216
5,7-dichloro-4-ethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82548636
6-chloro-4,7-dimethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549360
N-ethyl-6-methoxy-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine
CID 82548734
7-chloro-4,5,6-trimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 96710360
5-tert-butyl-4-methoxy-7-methyl-N-propyl-1,3-benzothiazol-2-amine
CID 82548547
3,5-dichloro-N-ethyl-2-methoxyaniline
CID 82267013
1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea
CID 121082763
5-chloro-N-ethyl-6-methyl-1,3-benzothiazol-2-amine
CID 82549231
6-bromo-N,4-diethyl-1,3-benzothiazol-2-amine
CID 82549434

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-ethyl-4-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of 5,7-dichloro-N-ethyl-4-methoxy-1,3-benzothiazol-2-amine (CID 82548641) is 5,7-dichloro-N-ethyl-4-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5,7-dichloro-N-ethyl-4-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for 5,7-dichloro-N-ethyl-4-methoxy-1,3-benzothiazol-2-amine is CCNc1nc2c(OC)c(Cl)cc(Cl)c2s1.
What is the InChIKey of 5,7-dichloro-N-ethyl-4-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is GDNYTNDPLWUMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2OS/c1-3-13-10-14-7-8(15-2)5(11)4-6(12)9(7)16-10/h4H,3H2,1-2H3,(H,13,14).
What are the key properties of 5,7-dichloro-N-ethyl-4-methoxy-1,3-benzothiazol-2-amine?
5,7-dichloro-N-ethyl-4-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 277.18 g/mol, XLogP of 4.04, 3 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-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82548641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).