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

C15H25N3S — CID 83062024

IUPAC2-(2-propylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCCC1CCCCN1c1nc2c(s1)C(N)CCC2
InChIInChI=1S/C15H25N3S/c1-2-6-11-7-3-4-10-18(11)15-17-13-9-5-8-12(16)14(13)19-15/h11-12H,2-10,16H2,1H3
InChIKeyLYIQJRURULTZSK-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.64
Rot. Bonds3

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

2-(2-propylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 83062024) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-(2-propylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(2-propylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID83062024
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name2-(2-propylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCCC1CCCCN1c1nc2c(s1)C(N)CCC2
InChIInChI=1S/C15H25N3S/c1-2-6-11-7-3-4-10-18(11)15-17-13-9-5-8-12(16)14(13)19-15/h11-12H,2-10,16H2,1H3
InChIKeyLYIQJRURULTZSK-UHFFFAOYSA-N
XLogP3.64
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(2-ethylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62750084
2-(3-methylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62751878
4-methyl-2-(2-propylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 83061710
2-(2-propylpiperidin-1-yl)-1,3-benzothiazol-6-amine
CID 83053118
2-[4-(cyclopropylmethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62750372
2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 79413175
5-(2-propylpyrrolidin-1-yl)-1,2,4-thiadiazol-3-amine
CID 131014603
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 66371042
2-(2-ethylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62753327
[2-(2-propylpiperidin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine
CID 83052105
2-(2-ethylpiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62750247
4-(7-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,4-diazepan-2-one
CID 65366698

Frequently Asked Questions

What is the IUPAC name of 2-(2-propylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(2-propylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 83062024) is 2-(2-propylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(2-propylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(2-propylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCCC1CCCCN1c1nc2c(s1)C(N)CCC2.
What is the InChIKey of 2-(2-propylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is LYIQJRURULTZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-2-6-11-7-3-4-10-18(11)15-17-13-9-5-8-12(16)14(13)19-15/h11-12H,2-10,16H2,1H3.
What are the key properties of 2-(2-propylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-(2-propylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 279.45 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 83062024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).