6-[(E)-3-(2-methyl-5-phenylmethoxyphenyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine

C24H27N3OS — CID 19985883

IUPAC6-[(E)-3-(2-methyl-5-phenylmethoxyphenyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
SMILESCc1ccc(OCc2ccccc2)cc1/C=C/CN1CCc2nc(N)sc2CC1
InChIInChI=1S/C24H27N3OS/c1-18-9-10-21(28-17-19-6-3-2-4-7-19)16-20(18)8-5-13-27-14-11-22-23(12-15-27)29-24(25)26-22/h2-10,16H,11-15,17H2,1H3,(H2,25,26)/b8-5+
InChIKeyFYHWUADRGCBMEY-VMPITWQZSA-N
MW405.57 g/mol
LogP4.73
Rot. Bonds6

About 6-[(E)-3-(2-methyl-5-phenylmethoxyphenyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine

6-[(E)-3-(2-methyl-5-phenylmethoxyphenyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine (PubChem CID 19985883) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is 6-[(E)-3-(2-methyl-5-phenylmethoxyphenyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine.

Molecular Properties

Compound Name6-[(E)-3-(2-methyl-5-phenylmethoxyphenyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
PubChem CID19985883
Molecular FormulaC24H27N3OS
Molecular Weight405.57 g/mol
Exact Mass405.19
IUPAC Name6-[(E)-3-(2-methyl-5-phenylmethoxyphenyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
SMILESCc1ccc(OCc2ccccc2)cc1/C=C/CN1CCc2nc(N)sc2CC1
InChIInChI=1S/C24H27N3OS/c1-18-9-10-21(28-17-19-6-3-2-4-7-19)16-20(18)8-5-13-27-14-11-22-23(12-15-27)29-24(25)26-22/h2-10,16H,11-15,17H2,1H3,(H2,25,26)/b8-5+
InChIKeyFYHWUADRGCBMEY-VMPITWQZSA-N
XLogP4.73
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.57
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(E)-3-(2-methyl-5-phenylmethoxyphenyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine with MolForge

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Related Compounds

6-[(E)-3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
CID 19985868
6-[(E)-3-[3-(pyridin-3-ylmethoxy)phenyl]prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
CID 19985735
2-[3-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]benzamide
CID 54322239
3-[(E)-3-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]-5-methoxyphenol
CID 19985917
6-[3-(2-amino-1,3-benzothiazol-4-yl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
CID 54328632
6-[3-(3-methoxy-2-pyridinyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
CID 54308739
3-[(E)-3-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]benzoic acid
CID 19985732
5-[2-(2-methylphenoxy)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 28505406
6-(6-phenylmethoxynaphthalen-2-yl)-1,3-benzothiazol-2-amine
CID 59282886
N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine
CID 82549612
2-methyl-6-phenylmethoxyquinoline
CID 82580854
2,3-dimethyl-6-phenylmethoxyquinolin-4-amine
CID 62204130

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-(2-methyl-5-phenylmethoxyphenyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine?
The IUPAC name of 6-[(E)-3-(2-methyl-5-phenylmethoxyphenyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine (CID 19985883) is 6-[(E)-3-(2-methyl-5-phenylmethoxyphenyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine.
What is the SMILES notation for 6-[(E)-3-(2-methyl-5-phenylmethoxyphenyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine?
The canonical SMILES for 6-[(E)-3-(2-methyl-5-phenylmethoxyphenyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine is Cc1ccc(OCc2ccccc2)cc1/C=C/CN1CCc2nc(N)sc2CC1.
What is the InChIKey of 6-[(E)-3-(2-methyl-5-phenylmethoxyphenyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine?
The InChIKey is FYHWUADRGCBMEY-VMPITWQZSA-N. The full InChI is InChI=1S/C24H27N3OS/c1-18-9-10-21(28-17-19-6-3-2-4-7-19)16-20(18)8-5-13-27-14-11-22-23(12-15-27)29-24(25)26-22/h2-10,16H,11-15,17H2,1H3,(H2,25,26)/b8-5+.
What are the key properties of 6-[(E)-3-(2-methyl-5-phenylmethoxyphenyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine?
6-[(E)-3-(2-methyl-5-phenylmethoxyphenyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine has a molecular weight of 405.57 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-(2-methyl-5-phenylmethoxyphenyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine is sourced from PubChem (CID 19985883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).