[(3S,5S)-5-[2-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

C19H22F3N5O5S — CID 164880031

IUPAC[(3S,5S)-5-[2-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCn1nc(COC(F)(F)F)cc1C(=O)Nc1ncc([C@@H]2C[C@H](OC(=O)NC3(C)CC3)CO2)s1
InChIInChI=1S/C19H22F3N5O5S/c1-18(3-4-18)25-17(29)32-11-6-13(30-9-11)14-7-23-16(33-14)24-15(28)12-5-10(26-27(12)2)8-31-19(20,21)22/h5,7,11,13H,3-4,6,8-9H2,1-2H3,(H,25,29)(H,23,24,28)/t11-,13-/m0/s1
InChIKeyHQHAOBDGFIRELQ-AAEUAGOBSA-N
MW489.48 g/mol
LogP3.27
Rot. Bonds7

About [(3S,5S)-5-[2-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

[(3S,5S)-5-[2-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 164880031) has the molecular formula C19H22F3N5O5S and a molecular weight of 489.48 g/mol. Its IUPAC name is [(3S,5S)-5-[2-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(3S,5S)-5-[2-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
PubChem CID164880031
Molecular FormulaC19H22F3N5O5S
Molecular Weight489.48 g/mol
Exact Mass489.13
IUPAC Name[(3S,5S)-5-[2-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCn1nc(COC(F)(F)F)cc1C(=O)Nc1ncc([C@@H]2C[C@H](OC(=O)NC3(C)CC3)CO2)s1
InChIInChI=1S/C19H22F3N5O5S/c1-18(3-4-18)25-17(29)32-11-6-13(30-9-11)14-7-23-16(33-14)24-15(28)12-5-10(26-27(12)2)8-31-19(20,21)22/h5,7,11,13H,3-4,6,8-9H2,1-2H3,(H,25,29)(H,23,24,28)/t11-,13-/m0/s1
InChIKeyHQHAOBDGFIRELQ-AAEUAGOBSA-N
XLogP3.27
TPSA116.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.48
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [(3S,5S)-5-[2-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-5-[2-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(3S,5S)-5-[2-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 164880031) is [(3S,5S)-5-[2-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(3S,5S)-5-[2-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(3S,5S)-5-[2-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is Cn1nc(COC(F)(F)F)cc1C(=O)Nc1ncc([C@@H]2C[C@H](OC(=O)NC3(C)CC3)CO2)s1.
What is the InChIKey of [(3S,5S)-5-[2-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is HQHAOBDGFIRELQ-AAEUAGOBSA-N. The full InChI is InChI=1S/C19H22F3N5O5S/c1-18(3-4-18)25-17(29)32-11-6-13(30-9-11)14-7-23-16(33-14)24-15(28)12-5-10(26-27(12)2)8-31-19(20,21)22/h5,7,11,13H,3-4,6,8-9H2,1-2H3,(H,25,29)(H,23,24,28)/t11-,13-/m0/s1.
What are the key properties of [(3S,5S)-5-[2-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
[(3S,5S)-5-[2-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 489.48 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-5-[2-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 164880031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).