1-methyl-N-[(3S,4R)-1-(thiadiazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide

C13H15F3N4O2S — CID 154806111

IUPAC1-methyl-N-[(3S,4R)-1-(thiadiazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
SMILESCC1(C(=O)N[C@@H]2CN(C(=O)c3csnn3)C[C@H]2C(F)(F)F)CC1
InChIInChI=1S/C13H15F3N4O2S/c1-12(2-3-12)11(22)17-8-5-20(4-7(8)13(14,15)16)10(21)9-6-23-19-18-9/h6-8H,2-5H2,1H3,(H,17,22)/t7-,8-/m1/s1
InChIKeyNIICVUBAMRNIKB-HTQZYQBOSA-N
MW348.35 g/mol
LogP1.46
Rot. Bonds3

About 1-methyl-N-[(3S,4R)-1-(thiadiazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide

1-methyl-N-[(3S,4R)-1-(thiadiazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide (PubChem CID 154806111) has the molecular formula C13H15F3N4O2S and a molecular weight of 348.35 g/mol. Its IUPAC name is 1-methyl-N-[(3S,4R)-1-(thiadiazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3S,4R)-1-(thiadiazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
PubChem CID154806111
Molecular FormulaC13H15F3N4O2S
Molecular Weight348.35 g/mol
Exact Mass348.09
IUPAC Name1-methyl-N-[(3S,4R)-1-(thiadiazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
SMILESCC1(C(=O)N[C@@H]2CN(C(=O)c3csnn3)C[C@H]2C(F)(F)F)CC1
InChIInChI=1S/C13H15F3N4O2S/c1-12(2-3-12)11(22)17-8-5-20(4-7(8)13(14,15)16)10(21)9-6-23-19-18-9/h6-8H,2-5H2,1H3,(H,17,22)/t7-,8-/m1/s1
InChIKeyNIICVUBAMRNIKB-HTQZYQBOSA-N
XLogP1.46
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 25451440
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CID 65215792
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CID 65216006
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CID 65216060
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CID 65216170
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CID 65216283
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3S,4R)-1-(thiadiazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-methyl-N-[(3S,4R)-1-(thiadiazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide (CID 154806111) is 1-methyl-N-[(3S,4R)-1-(thiadiazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3S,4R)-1-(thiadiazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[(3S,4R)-1-(thiadiazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide is CC1(C(=O)N[C@@H]2CN(C(=O)c3csnn3)C[C@H]2C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-N-[(3S,4R)-1-(thiadiazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is NIICVUBAMRNIKB-HTQZYQBOSA-N. The full InChI is InChI=1S/C13H15F3N4O2S/c1-12(2-3-12)11(22)17-8-5-20(4-7(8)13(14,15)16)10(21)9-6-23-19-18-9/h6-8H,2-5H2,1H3,(H,17,22)/t7-,8-/m1/s1.
What are the key properties of 1-methyl-N-[(3S,4R)-1-(thiadiazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
1-methyl-N-[(3S,4R)-1-(thiadiazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 348.35 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3S,4R)-1-(thiadiazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 154806111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).