7-(4-chloro-3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C14H15ClN2OS — CID 107622754

IUPAC7-(4-chloro-3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCOc1cc(C2CCCc3nc(N)sc32)ccc1Cl
InChIInChI=1S/C14H15ClN2OS/c1-18-12-7-8(5-6-10(12)15)9-3-2-4-11-13(9)19-14(16)17-11/h5-7,9H,2-4H2,1H3,(H2,16,17)
InChIKeyDNOVWNLOEOJHPW-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.86
Rot. Bonds2

About 7-(4-chloro-3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

7-(4-chloro-3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 107622754) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 7-(4-chloro-3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-(4-chloro-3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID107622754
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name7-(4-chloro-3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCOc1cc(C2CCCc3nc(N)sc32)ccc1Cl
InChIInChI=1S/C14H15ClN2OS/c1-18-12-7-8(5-6-10(12)15)9-3-2-4-11-13(9)19-14(16)17-11/h5-7,9H,2-4H2,1H3,(H2,16,17)
InChIKeyDNOVWNLOEOJHPW-UHFFFAOYSA-N
XLogP3.86
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chloro-3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of 7-(4-chloro-3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 107622754) is 7-(4-chloro-3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-(4-chloro-3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-(4-chloro-3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is COc1cc(C2CCCc3nc(N)sc32)ccc1Cl.
What is the InChIKey of 7-(4-chloro-3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is DNOVWNLOEOJHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-18-12-7-8(5-6-10(12)15)9-3-2-4-11-13(9)19-14(16)17-11/h5-7,9H,2-4H2,1H3,(H2,16,17).
What are the key properties of 7-(4-chloro-3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
7-(4-chloro-3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 294.81 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chloro-3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 107622754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).