(4-methoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine

C15H18N2OS — CID 61330111

IUPAC(4-methoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
SMILESCOc1ccc(C(N)c2nc3c(s2)CCCC3)cc1
InChIInChI=1S/C15H18N2OS/c1-18-11-8-6-10(7-9-11)14(16)15-17-12-4-2-3-5-13(12)19-15/h6-9,14H,2-5,16H2,1H3
InChIKeyMIGDZTLEKAGSAG-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.08
Rot. Bonds3

About (4-methoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine

(4-methoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine (PubChem CID 61330111) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is (4-methoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-methoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
PubChem CID61330111
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name(4-methoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
SMILESCOc1ccc(C(N)c2nc3c(s2)CCCC3)cc1
InChIInChI=1S/C15H18N2OS/c1-18-11-8-6-10(7-9-11)14(16)15-17-12-4-2-3-5-13(12)19-15/h6-9,14H,2-5,16H2,1H3
InChIKeyMIGDZTLEKAGSAG-UHFFFAOYSA-N
XLogP3.08
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine
CID 61331092
(3-chloro-4-methoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 65026757
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,4-dimethoxyphenyl)methanamine
CID 61330501
(3,5-dichlorophenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 61331896
(3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine
CID 61333069
(2,3-dimethoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 61332876
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propan-2-yloxyphenyl)methanamine
CID 61331493
1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
CID 4311279
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine
CID 63078223
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propoxyphenyl)methanamine
CID 62499814
(3-chloro-4-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine
CID 81154464
N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 677721

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine?
The IUPAC name of (4-methoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine (CID 61330111) is (4-methoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine.
What is the SMILES notation for (4-methoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine?
The canonical SMILES for (4-methoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine is COc1ccc(C(N)c2nc3c(s2)CCCC3)cc1.
What is the InChIKey of (4-methoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine?
The InChIKey is MIGDZTLEKAGSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-18-11-8-6-10(7-9-11)14(16)15-17-12-4-2-3-5-13(12)19-15/h6-9,14H,2-5,16H2,1H3.
What are the key properties of (4-methoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine?
(4-methoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine has a molecular weight of 274.39 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine is sourced from PubChem (CID 61330111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).