1,3-thiazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

C13H15N3OS2 — CID 63048026

IUPAC1,3-thiazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cscn1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C13H15N3OS2/c17-13(12-9-19-10-14-12)16-4-2-15(3-5-16)7-11-1-6-18-8-11/h1,6,8-10H,2-5,7H2
InChIKeyFFHVSXCFMKEXOJ-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.16
Rot. Bonds3

About 1,3-thiazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

1,3-thiazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 63048026) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is 1,3-thiazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1,3-thiazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID63048026
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name1,3-thiazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cscn1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C13H15N3OS2/c17-13(12-9-19-10-14-12)16-4-2-15(3-5-16)7-11-1-6-18-8-11/h1,6,8-10H,2-5,7H2
InChIKeyFFHVSXCFMKEXOJ-UHFFFAOYSA-N
XLogP2.16
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(Methoxymethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 48573949
4-[[4-(Thiophen-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 53516942
1,3-Thiazol-4-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone
CID 97472737
2-(1,3-Thiazol-4-yl)-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 138034147
N-cyclopropyl-N-(2,2-difluoroethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 53596639
N-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 86997213
1,3-Thiazol-4-yl-[8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155828522
1,3-Thiazol-4-yl-[9-(thiophen-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone;2,2,2-trifluoroacetic acid
CID 155849345
N-(cyclopropylmethyl)-N-propan-2-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 40149808
(4-(((4-Methylthiazol-2-yl)thio)methyl)piperidin-1-yl)(thiophen-3-yl)methanone
CID 71800795
2,5-Dimethyl-4-[2-(thiophen-3-yl)-1,3-thiazole-4-carbonyl]morpholine
CID 56811758
(2,2-Dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 35020871

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of 1,3-thiazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (CID 63048026) is 1,3-thiazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1,3-thiazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for 1,3-thiazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is O=C(c1cscn1)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of 1,3-thiazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is FFHVSXCFMKEXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c17-13(12-9-19-10-14-12)16-4-2-15(3-5-16)7-11-1-6-18-8-11/h1,6,8-10H,2-5,7H2.
What are the key properties of 1,3-thiazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
1,3-thiazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 293.42 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 63048026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).