7-methyl-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine

C12H12N2OS — CID 82242929

IUPAC7-methyl-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine
SMILESCc1cccc2c1OCCc1sc(N)nc1-2
InChIInChI=1S/C12H12N2OS/c1-7-3-2-4-8-10-9(16-12(13)14-10)5-6-15-11(7)8/h2-4H,5-6H2,1H3,(H2,13,14)
InChIKeyHPXZJHHMWJJHDO-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.64
Rot. Bonds

About 7-methyl-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine

7-methyl-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine (PubChem CID 82242929) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 7-methyl-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine.

Molecular Properties

Compound Name7-methyl-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine
PubChem CID82242929
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name7-methyl-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine
SMILESCc1cccc2c1OCCc1sc(N)nc1-2
InChIInChI=1S/C12H12N2OS/c1-7-3-2-4-8-10-9(16-12(13)14-10)5-6-15-11(7)8/h2-4H,5-6H2,1H3,(H2,13,14)
InChIKeyHPXZJHHMWJJHDO-UHFFFAOYSA-N
XLogP2.64
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-oxa-5-thia-3-azatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),3,11,13,15,17-heptaen-4-amine
CID 82247206
2-(7-methoxy-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine
CID 82248373
3,4-dimethylpyridin-2-amine;5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
CID 87098213
5-(2-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazol-2-amine
CID 82106591
cobalt(2+);7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
CID 71595556
5-(2,3-dihydro-1-benzofuran-7-yl)-1,3-thiazol-2-amine
CID 114746396
2-methyl-13-thia-2,11-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,10(14),11-pentaen-12-amine;dihydrochloride
CID 90663672
ethane;7-methyl-2,3-dihydro-1-benzofuran
CID 91503061
4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-amine
CID 15065266
6-(2,3-dihydro-1-benzofuran-7-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 114747241
4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-2,5-diamine
CID 82485977
4-(2-methylphenyl)-5-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 82106448

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine?
The IUPAC name of 7-methyl-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine (CID 82242929) is 7-methyl-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine.
What is the SMILES notation for 7-methyl-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine?
The canonical SMILES for 7-methyl-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine is Cc1cccc2c1OCCc1sc(N)nc1-2.
What is the InChIKey of 7-methyl-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine?
The InChIKey is HPXZJHHMWJJHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-7-3-2-4-8-10-9(16-12(13)14-10)5-6-15-11(7)8/h2-4H,5-6H2,1H3,(H2,13,14).
What are the key properties of 7-methyl-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine?
7-methyl-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine has a molecular weight of 232.31 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine is sourced from PubChem (CID 82242929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).