1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea

C14H16F3N5O2S — CID 86987720

IUPAC1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
SMILESCCCc1nnc(NC(=O)NCc2cccnc2OCC(F)(F)F)s1
InChIInChI=1S/C14H16F3N5O2S/c1-2-4-10-21-22-13(25-10)20-12(23)19-7-9-5-3-6-18-11(9)24-8-14(15,16)17/h3,5-6H,2,4,7-8H2,1H3,(H2,19,20,22,23)
InChIKeyXZIVABVCMCABLB-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.15
Rot. Bonds7

About 1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea

1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea (PubChem CID 86987720) has the molecular formula C14H16F3N5O2S and a molecular weight of 375.38 g/mol. Its IUPAC name is 1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
PubChem CID86987720
Molecular FormulaC14H16F3N5O2S
Molecular Weight375.38 g/mol
Exact Mass375.10
IUPAC Name1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
SMILESCCCc1nnc(NC(=O)NCc2cccnc2OCC(F)(F)F)s1
InChIInChI=1S/C14H16F3N5O2S/c1-2-4-10-21-22-13(25-10)20-12(23)19-7-9-5-3-6-18-11(9)24-8-14(15,16)17/h3,5-6H,2,4,7-8H2,1H3,(H2,19,20,22,23)
InChIKeyXZIVABVCMCABLB-UHFFFAOYSA-N
XLogP3.15
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea with MolForge

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Related Compounds

1-[(2-methylphenyl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 47199493
1-[(5-methylthiophen-2-yl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
CID 55793336
1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-ylurea
CID 110491785
2-phenylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 55613812
(2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 142480215
1-[(6-chloro-3-pyridinyl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 87009229
3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 146128553
N',N'-dipropyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pentanediamide
CID 56540548
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 134006403
N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 717037
(2R)-2-pyrazol-1-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 94022211
2-ethoxy-N-[2-oxo-2-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]ethyl]benzamide
CID 46424285

Frequently Asked Questions

What is the IUPAC name of 1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea (CID 86987720) is 1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea is CCCc1nnc(NC(=O)NCc2cccnc2OCC(F)(F)F)s1.
What is the InChIKey of 1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea?
The InChIKey is XZIVABVCMCABLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O2S/c1-2-4-10-21-22-13(25-10)20-12(23)19-7-9-5-3-6-18-11(9)24-8-14(15,16)17/h3,5-6H,2,4,7-8H2,1H3,(H2,19,20,22,23).
What are the key properties of 1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea?
1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea has a molecular weight of 375.38 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 86987720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).