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

C17H29N3S — CID 63625787

IUPAC2-(4-methylazepan-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCCNC1CCCc2nc(N3CCCC(C)CC3)sc21
InChIInChI=1S/C17H29N3S/c1-3-10-18-14-7-4-8-15-16(14)21-17(19-15)20-11-5-6-13(2)9-12-20/h13-14,18H,3-12H2,1-2H3
InChIKeyDEGJKMRJBWEJTD-UHFFFAOYSA-N
MW307.51 g/mol
LogP4.15
Rot. Bonds4

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

2-(4-methylazepan-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 63625787) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is 2-(4-methylazepan-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(4-methylazepan-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID63625787
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC Name2-(4-methylazepan-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCCNC1CCCc2nc(N3CCCC(C)CC3)sc21
InChIInChI=1S/C17H29N3S/c1-3-10-18-14-7-4-8-15-16(14)21-17(19-15)20-11-5-6-13(2)9-12-20/h13-14,18H,3-12H2,1-2H3
InChIKeyDEGJKMRJBWEJTD-UHFFFAOYSA-N
XLogP4.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,4-dimethylpiperidin-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62931707
2-(2,6-dimethylmorpholin-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62749698
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 104961167
3-methyl-4-[7-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-2-one
CID 63607372
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62752126
2-(3,3-dimethylmorpholin-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62754146
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 63168246
N-ethyl-2-[3-(methoxymethyl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 106589570
4-[7-(ethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazine-2,6-dione
CID 66063765
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 79933484
2-butyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 79411549
N-[[4-cyclopropyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63916847

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylazepan-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(4-methylazepan-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 63625787) is 2-(4-methylazepan-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(4-methylazepan-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(4-methylazepan-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCCNC1CCCc2nc(N3CCCC(C)CC3)sc21.
What is the InChIKey of 2-(4-methylazepan-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is DEGJKMRJBWEJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-3-10-18-14-7-4-8-15-16(14)21-17(19-15)20-11-5-6-13(2)9-12-20/h13-14,18H,3-12H2,1-2H3.
What are the key properties of 2-(4-methylazepan-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-(4-methylazepan-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 307.51 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylazepan-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 63625787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).