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

C16H20N4OS — CID 54308739

IUPAC6-[3-(3-methoxy-2-pyridinyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
SMILESCOc1cccnc1C=CCN1CCc2nc(N)sc2CC1
InChIInChI=1S/C16H20N4OS/c1-21-14-5-2-8-18-12(14)4-3-9-20-10-6-13-15(7-11-20)22-16(17)19-13/h2-5,8H,6-7,9-11H2,1H3,(H2,17,19)
InChIKeySJJLNKRZWOXWJU-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.24
Rot. Bonds4

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

6-[3-(3-methoxy-2-pyridinyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine (PubChem CID 54308739) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 6-[3-(3-methoxy-2-pyridinyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine.

Molecular Properties

Compound Name6-[3-(3-methoxy-2-pyridinyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
PubChem CID54308739
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name6-[3-(3-methoxy-2-pyridinyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
SMILESCOc1cccnc1C=CCN1CCc2nc(N)sc2CC1
InChIInChI=1S/C16H20N4OS/c1-21-14-5-2-8-18-12(14)4-3-9-20-10-6-13-15(7-11-20)22-16(17)19-13/h2-5,8H,6-7,9-11H2,1H3,(H2,17,19)
InChIKeySJJLNKRZWOXWJU-UHFFFAOYSA-N
XLogP2.24
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
2-[(E)-3-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]phenol
CID 19985725
3-[(E)-3-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]benzene-1,2-diol
CID 19985756
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
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-[(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
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]benzoic acid
CID 19985732
6-(3-cyclopenta[c]thiopyran-7-ylprop-2-enyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
CID 173249999
5-[2-(2-methylphenoxy)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 28505406
4-(3-methoxy-2-pyridinyl)but-3-enenitrile
CID 170799445

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-methoxy-2-pyridinyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine?
The IUPAC name of 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) is 6-[3-(3-methoxy-2-pyridinyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine.
What is the SMILES notation for 6-[3-(3-methoxy-2-pyridinyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine?
The canonical SMILES for 6-[3-(3-methoxy-2-pyridinyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine is COc1cccnc1C=CCN1CCc2nc(N)sc2CC1.
What is the InChIKey of 6-[3-(3-methoxy-2-pyridinyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine?
The InChIKey is SJJLNKRZWOXWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-21-14-5-2-8-18-12(14)4-3-9-20-10-6-13-15(7-11-20)22-16(17)19-13/h2-5,8H,6-7,9-11H2,1H3,(H2,17,19).
What are the key properties of 6-[3-(3-methoxy-2-pyridinyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine?
6-[3-(3-methoxy-2-pyridinyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine has a molecular weight of 316.43 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-methoxy-2-pyridinyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine is sourced from PubChem (CID 54308739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).