[4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone

C18H22N4O2S2 — CID 24675829

IUPAC[4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone
SMILESO=C(C1CCCCN1C(=O)c1cccs1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C18H22N4O2S2/c23-16(20-8-10-21(11-9-20)18-19-6-13-26-18)14-4-1-2-7-22(14)17(24)15-5-3-12-25-15/h3,5-6,12-14H,1-2,4,7-11H2
InChIKeyIWKROZSGQBZHPD-UHFFFAOYSA-N
MW390.53 g/mol
LogP2.55
Rot. Bonds3

About [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone

[4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone (PubChem CID 24675829) has the molecular formula C18H22N4O2S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone.

Molecular Properties

Compound Name[4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone
PubChem CID24675829
Molecular FormulaC18H22N4O2S2
Molecular Weight390.53 g/mol
Exact Mass390.12
IUPAC Name[4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone
SMILESO=C(C1CCCCN1C(=O)c1cccs1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C18H22N4O2S2/c23-16(20-8-10-21(11-9-20)18-19-6-13-26-18)14-4-1-2-7-22(14)17(24)15-5-3-12-25-15/h3,5-6,12-14H,1-2,4,7-11H2
InChIKeyIWKROZSGQBZHPD-UHFFFAOYSA-N
XLogP2.55
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone with MolForge

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Related Compounds

1-[(2R)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 94551535
1-[(2S)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 75479662
(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
CID 51148177
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
1,4-diazepan-1-yl-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone
CID 119414809
1-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 119167862
1-morpholin-4-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]ethane-1,2-dione
CID 55936595
[4-(1-aminoethyl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
CID 119517343
[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 46517348
(2R)-1-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 78923072
1-piperidin-1-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one
CID 86890935
[4-(methylaminomethyl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
CID 119543284

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone?
The IUPAC name of [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone (CID 24675829) is [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone.
What is the SMILES notation for [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone?
The canonical SMILES for [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone is O=C(C1CCCCN1C(=O)c1cccs1)N1CCN(c2nccs2)CC1.
What is the InChIKey of [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone?
The InChIKey is IWKROZSGQBZHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S2/c23-16(20-8-10-21(11-9-20)18-19-6-13-26-18)14-4-1-2-7-22(14)17(24)15-5-3-12-25-15/h3,5-6,12-14H,1-2,4,7-11H2.
What are the key properties of [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone?
[4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone has a molecular weight of 390.53 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone is sourced from PubChem (CID 24675829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).