(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone

C18H15N5OS3 — CID 112814573

IUPAC(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ccsc2)n1)N1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C18H15N5OS3/c24-18(14-10-27-16(21-14)12-1-7-25-9-12)23-5-3-22(4-6-23)15-13-2-8-26-17(13)20-11-19-15/h1-2,7-11H,3-6H2
InChIKeyWHKVGDGUEHSOBZ-UHFFFAOYSA-N
MW413.55 g/mol
LogP3.84
Rot. Bonds3

About (4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone

(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone (PubChem CID 112814573) has the molecular formula C18H15N5OS3 and a molecular weight of 413.55 g/mol. Its IUPAC name is (4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
PubChem CID112814573
Molecular FormulaC18H15N5OS3
Molecular Weight413.55 g/mol
Exact Mass413.04
IUPAC Name(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ccsc2)n1)N1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C18H15N5OS3/c24-18(14-10-27-16(21-14)12-1-7-25-9-12)23-5-3-22(4-6-23)15-13-2-8-26-17(13)20-11-19-15/h1-2,7-11H,3-6H2
InChIKeyWHKVGDGUEHSOBZ-UHFFFAOYSA-N
XLogP3.84
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.55
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 119842616
5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120684892
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 36840265
(4-methylphenyl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 20849648
(3,4-dihydroxypyrrolidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 106671715
azepan-1-yl-[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone
CID 8548115
[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 87002483
2-benzyl-6-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyridazin-3-one
CID 112814496
(2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119842603
(3,5-dimethylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 46549349
[1-(4-methylphenyl)triazol-4-yl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 112823893

Frequently Asked Questions

What is the IUPAC name of (4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone (CID 112814573) is (4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone is O=C(c1csc(-c2ccsc2)n1)N1CCN(c2ncnc3sccc23)CC1.
What is the InChIKey of (4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is WHKVGDGUEHSOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS3/c24-18(14-10-27-16(21-14)12-1-7-25-9-12)23-5-3-22(4-6-23)15-13-2-8-26-17(13)20-11-19-15/h1-2,7-11H,3-6H2.
What are the key properties of (4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 413.55 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 112814573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).