2-[[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide

C14H16F3N5O2S — CID 75401418

IUPAC2-[[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccsc1Cn1nccc1NC(=O)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C14H16F3N5O2S/c1-9-3-5-25-10(9)7-22-11(2-4-20-22)21-13(24)18-6-12(23)19-8-14(15,16)17/h2-5H,6-8H2,1H3,(H,19,23)(H2,18,21,24)
InChIKeyOTAYQBCJDYJSQB-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.10
Rot. Bonds6

About 2-[[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 75401418) has the molecular formula C14H16F3N5O2S and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-[[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID75401418
Molecular FormulaC14H16F3N5O2S
Molecular Weight375.38 g/mol
Exact Mass375.10
IUPAC Name2-[[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccsc1Cn1nccc1NC(=O)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C14H16F3N5O2S/c1-9-3-5-25-10(9)7-22-11(2-4-20-22)21-13(24)18-6-12(23)19-8-14(15,16)17/h2-5H,6-8H2,1H3,(H,19,23)(H2,18,21,24)
InChIKeyOTAYQBCJDYJSQB-UHFFFAOYSA-N
XLogP2.10
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 75401418) is 2-[[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide is Cc1ccsc1Cn1nccc1NC(=O)NCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OTAYQBCJDYJSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O2S/c1-9-3-5-25-10(9)7-22-11(2-4-20-22)21-13(24)18-6-12(23)19-8-14(15,16)17/h2-5H,6-8H2,1H3,(H,19,23)(H2,18,21,24).
What are the key properties of 2-[[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 375.38 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 75401418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).