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

C14H16N2OS — CID 677721

IUPACN-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCOc1ccc(Nc2nc3c(s2)CCCC3)cc1
InChIInChI=1S/C14H16N2OS/c1-17-11-8-6-10(7-9-11)15-14-16-12-4-2-3-5-13(12)18-14/h6-9H,2-5H2,1H3,(H,15,16)
InChIKeyIPFYDCKXBRAMPA-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.77
Rot. Bonds3

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

N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 677721) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID677721
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCOc1ccc(Nc2nc3c(s2)CCCC3)cc1
InChIInChI=1S/C14H16N2OS/c1-17-11-8-6-10(7-9-11)15-14-16-12-4-2-3-5-13(12)18-14/h6-9H,2-5H2,1H3,(H,15,16)
InChIKeyIPFYDCKXBRAMPA-UHFFFAOYSA-N
XLogP3.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethanone
CID 110825733
4-[(4-methoxyphenyl)sulfamoyl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 24611794
2-(4-methoxyphenyl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 41320506
2-hydroxy-5-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 60709611
1-(3-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea
CID 19676436
2-bromo-5-methoxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 25466331
N-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 25106458
(4-methoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 61330111
1-[1-(4-methoxyphenyl)propyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 112824649
(2R)-2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 42278896
(E)-3-(2,5-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enamide
CID 7909327
methyl 2-amino-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzoate
CID 115545374

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 677721) is N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is COc1ccc(Nc2nc3c(s2)CCCC3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is IPFYDCKXBRAMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-17-11-8-6-10(7-9-11)15-14-16-12-4-2-3-5-13(12)18-14/h6-9H,2-5H2,1H3,(H,15,16).
What are the key properties of N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 260.36 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 677721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).