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

C16H26N2OS — CID 116774406

IUPAC2-(1-ethoxycycloheptyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCOC1(c2nc3c(s2)C(N)CCC3)CCCCCC1
InChIInChI=1S/C16H26N2OS/c1-2-19-16(10-5-3-4-6-11-16)15-18-13-9-7-8-12(17)14(13)20-15/h12H,2-11,17H2,1H3
InChIKeyFZABFEKBOVRQJA-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.07
Rot. Bonds3

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

2-(1-ethoxycycloheptyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 116774406) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-(1-ethoxycycloheptyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(1-ethoxycycloheptyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID116774406
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-(1-ethoxycycloheptyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCOC1(c2nc3c(s2)C(N)CCC3)CCCCCC1
InChIInChI=1S/C16H26N2OS/c1-2-19-16(10-5-3-4-6-11-16)15-18-13-9-7-8-12(17)14(13)20-15/h12H,2-11,17H2,1H3
InChIKeyFZABFEKBOVRQJA-UHFFFAOYSA-N
XLogP4.07
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyoxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 116774418
2-(1-methoxycyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 116774417
2-(1-ethoxycyclopentyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 116774459
2-(4-ethoxyoxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 116775215
2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116775313
2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 79413175
2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 84661798
2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62345083
N-[[4-cyclopropyl-2-(1-ethoxycyclopentyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367152
2-(1-ethoxycyclopentyl)-1,3-thiazol-4-amine
CID 116782573
2-(1-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 79616010
2-N-(2-methylpropyl)-2-N-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62750700

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycycloheptyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(1-ethoxycycloheptyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 116774406) is 2-(1-ethoxycycloheptyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(1-ethoxycycloheptyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(1-ethoxycycloheptyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCOC1(c2nc3c(s2)C(N)CCC3)CCCCCC1.
What is the InChIKey of 2-(1-ethoxycycloheptyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is FZABFEKBOVRQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-2-19-16(10-5-3-4-6-11-16)15-18-13-9-7-8-12(17)14(13)20-15/h12H,2-11,17H2,1H3.
What are the key properties of 2-(1-ethoxycycloheptyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-(1-ethoxycycloheptyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 294.46 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycycloheptyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 116774406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).