2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide

C16H12F3N3O2S2 — CID 1152575

IUPAC2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCc1cccs1
InChIInChI=1S/C16H12F3N3O2S2/c17-16(18,19)13-7-11(12-4-1-5-24-12)21-15(22-13)26-9-14(23)20-8-10-3-2-6-25-10/h1-7H,8-9H2,(H,20,23)
InChIKeyDOWXZZSUMGTRPB-UHFFFAOYSA-N
MW399.42 g/mol
LogP4.23
Rot. Bonds6

About 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide

2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 1152575) has the molecular formula C16H12F3N3O2S2 and a molecular weight of 399.42 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID1152575
Molecular FormulaC16H12F3N3O2S2
Molecular Weight399.42 g/mol
Exact Mass399.03
IUPAC Name2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCc1cccs1
InChIInChI=1S/C16H12F3N3O2S2/c17-16(18,19)13-7-11(12-4-1-5-24-12)21-15(22-13)26-9-14(23)20-8-10-3-2-6-25-10/h1-7H,8-9H2,(H,20,23)
InChIKeyDOWXZZSUMGTRPB-UHFFFAOYSA-N
XLogP4.23
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(Furan-2-yl)thieno(3,2-d)pyrimidin-2-amine
CID 9964493
2-Ethyl-4-(furan-2-yl)thieno[3,2-d]pyrimidine
CID 44449741
Anguizole
CID 1046082
3-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-ylthio]-N-(3-hydroxyphenyl)propa namide
CID 1164836
N-(2-furylmethyl)-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-ylthio]propanamide
CID 653926
2-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
CID 993259
2-amino-6-(furan-2-yl)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 11391964
2-[[4-(Furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethanol
CID 44449633
4-(furan-2-yl)-N,N-dimethylthieno[3,2-d]pyrimidin-2-amine
CID 44449636
4-(furan-2-yl)-N-methylthieno[3,2-d]pyrimidin-2-amine
CID 44449665
N-ethyl-4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-amine
CID 44449666
Pyrimidine-4-carboxamide, 123
CID 44520986

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide (CID 1152575) is 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide is O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCc1cccs1.
What is the InChIKey of 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is DOWXZZSUMGTRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S2/c17-16(18,19)13-7-11(12-4-1-5-24-12)21-15(22-13)26-9-14(23)20-8-10-3-2-6-25-10/h1-7H,8-9H2,(H,20,23).
What are the key properties of 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 399.42 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 1152575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).