cyclopropyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

C16H19N3OS2 — CID 18088181

IUPACcyclopropyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(Cc2csc(-c3ccsc3)n2)CC1
InChIInChI=1S/C16H19N3OS2/c20-16(12-1-2-12)19-6-4-18(5-7-19)9-14-11-22-15(17-14)13-3-8-21-10-13/h3,8,10-12H,1-2,4-7,9H2
InChIKeyGLVTZEIKZFDESG-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.93
Rot. Bonds4

About cyclopropyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

cyclopropyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 18088181) has the molecular formula C16H19N3OS2 and a molecular weight of 333.48 g/mol. Its IUPAC name is cyclopropyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID18088181
Molecular FormulaC16H19N3OS2
Molecular Weight333.48 g/mol
Exact Mass333.10
IUPAC Namecyclopropyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(Cc2csc(-c3ccsc3)n2)CC1
InChIInChI=1S/C16H19N3OS2/c20-16(12-1-2-12)19-6-4-18(5-7-19)9-14-11-22-15(17-14)13-3-8-21-10-13/h3,8,10-12H,1-2,4-7,9H2
InChIKeyGLVTZEIKZFDESG-UHFFFAOYSA-N
XLogP2.93
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Cyclopropyl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 30860598
N-(2-{2-[1-(Thiophene-3-carbonyl)piperidin-3-YL]-1,3-thiazol-4-YL}ethyl)cyclopropanecarboxamide
CID 71841720
N-(2-{2-[1-(Thiophene-3-carbonyl)piperidin-4-YL]-1,3-thiazol-4-YL}ethyl)cyclopropanecarboxamide
CID 71841905
N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 45887477
(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 97189230
1-[(2-Thiophen-3-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
CID 30835750
1-[(2-Thiophen-3-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 35464889
1-[4-(2,2-Difluoroethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
CID 49071081
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 49073738
N-cyclopropyl-N-(2,2-difluoroethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 53596639
2-(2-Thiophen-3-yl-1,3-thiazol-4-yl)-1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]ethanone
CID 55685430
2-Fluoro-2-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]acetamide
CID 132349085

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (CID 18088181) is cyclopropyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(Cc2csc(-c3ccsc3)n2)CC1.
What is the InChIKey of cyclopropyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is GLVTZEIKZFDESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS2/c20-16(12-1-2-12)19-6-4-18(5-7-19)9-14-11-22-15(17-14)13-3-8-21-10-13/h3,8,10-12H,1-2,4-7,9H2.
What are the key properties of cyclopropyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 333.48 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 18088181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).