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

C17H28N2OS — CID 116774684

IUPAC2-(1-methoxycyclohexyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCCCNC1CCCc2sc(C3(OC)CCCCC3)nc21
InChIInChI=1S/C17H28N2OS/c1-3-12-18-13-8-7-9-14-15(13)19-16(21-14)17(20-2)10-5-4-6-11-17/h13,18H,3-12H2,1-2H3
InChIKeyKKSSARGCWYUUTM-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.33
Rot. Bonds5

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

2-(1-methoxycyclohexyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 116774684) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 2-(1-methoxycyclohexyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-(1-methoxycyclohexyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID116774684
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name2-(1-methoxycyclohexyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCCCNC1CCCc2sc(C3(OC)CCCCC3)nc21
InChIInChI=1S/C17H28N2OS/c1-3-12-18-13-8-7-9-14-15(13)19-16(21-14)17(20-2)10-5-4-6-11-17/h13,18H,3-12H2,1-2H3
InChIKeyKKSSARGCWYUUTM-UHFFFAOYSA-N
XLogP4.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclohexyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-(1-methoxycyclohexyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 116774684) is 2-(1-methoxycyclohexyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-(1-methoxycyclohexyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-(1-methoxycyclohexyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is CCCNC1CCCc2sc(C3(OC)CCCCC3)nc21.
What is the InChIKey of 2-(1-methoxycyclohexyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is KKSSARGCWYUUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-3-12-18-13-8-7-9-14-15(13)19-16(21-14)17(20-2)10-5-4-6-11-17/h13,18H,3-12H2,1-2H3.
What are the key properties of 2-(1-methoxycyclohexyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-(1-methoxycyclohexyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 308.49 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclohexyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 116774684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).