(6S)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine

C23H34N4OS — CID 97290365

IUPAC(6S)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
SMILESCCCN(CCN1CCN(c2ccccc2OC)CC1)[C@H]1CCc2ncsc2C1
InChIInChI=1S/C23H34N4OS/c1-3-10-26(19-8-9-20-23(17-19)29-18-24-20)14-11-25-12-15-27(16-13-25)21-6-4-5-7-22(21)28-2/h4-7,18-19H,3,8-17H2,1-2H3/t19-/m0/s1
InChIKeyRSWFSOOHVWOZQI-IBGZPJMESA-N
MW414.62 g/mol
LogP3.54
Rot. Bonds8

About (6S)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine

(6S)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine (PubChem CID 97290365) has the molecular formula C23H34N4OS and a molecular weight of 414.62 g/mol. Its IUPAC name is (6S)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name(6S)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
PubChem CID97290365
Molecular FormulaC23H34N4OS
Molecular Weight414.62 g/mol
Exact Mass414.25
IUPAC Name(6S)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
SMILESCCCN(CCN1CCN(c2ccccc2OC)CC1)[C@H]1CCc2ncsc2C1
InChIInChI=1S/C23H34N4OS/c1-3-10-26(19-8-9-20-23(17-19)29-18-24-20)14-11-25-12-15-27(16-13-25)21-6-4-5-7-22(21)28-2/h4-7,18-19H,3,8-17H2,1-2H3/t19-/m0/s1
InChIKeyRSWFSOOHVWOZQI-IBGZPJMESA-N
XLogP3.54
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.62
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
CID 66937227
6-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 22906072
(6S)-6-N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 24866454
1-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)hydrazine
CID 141220598
4-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol
CID 45140375
6-N-propyl-6-N-[2-[4-(6-pyridin-2-yl-3-pyridinyl)piperazin-1-yl]ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 118461529
tert-butyl 4-[4-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]carbazole-9-carboxylate
CID 140960037
(2S)-5-(2-methoxyphenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 11187960
5-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride
CID 67918642
5-methoxy-N-(2-phenylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 12581206
3-[4-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]carbazole-9-carboxylic acid
CID 137460105
(6S)-6-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 24754542

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The IUPAC name of (6S)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine (CID 97290365) is (6S)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine.
What is the SMILES notation for (6S)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The canonical SMILES for (6S)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine is CCCN(CCN1CCN(c2ccccc2OC)CC1)[C@H]1CCc2ncsc2C1.
What is the InChIKey of (6S)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The InChIKey is RSWFSOOHVWOZQI-IBGZPJMESA-N. The full InChI is InChI=1S/C23H34N4OS/c1-3-10-26(19-8-9-20-23(17-19)29-18-24-20)14-11-25-12-15-27(16-13-25)21-6-4-5-7-22(21)28-2/h4-7,18-19H,3,8-17H2,1-2H3/t19-/m0/s1.
What are the key properties of (6S)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
(6S)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine has a molecular weight of 414.62 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine is sourced from PubChem (CID 97290365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).