(2R)-2-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide

C12H13F3N6OS — CID 125138491

IUPAC(2R)-2-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
SMILESCn1cnnc1[C@H]1CCCN1C(=O)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C12H13F3N6OS/c1-20-6-17-19-9(20)7-3-2-4-21(7)11(22)18-10-16-5-8(23-10)12(13,14)15/h5-7H,2-4H2,1H3,(H,16,18,22)/t7-/m1/s1
InChIKeyWIZLDDSQDKKVPU-SSDOTTSWSA-N
MW346.34 g/mol
LogP2.66
Rot. Bonds2

About (2R)-2-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide

(2R)-2-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide (PubChem CID 125138491) has the molecular formula C12H13F3N6OS and a molecular weight of 346.34 g/mol. Its IUPAC name is (2R)-2-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
PubChem CID125138491
Molecular FormulaC12H13F3N6OS
Molecular Weight346.34 g/mol
Exact Mass346.08
IUPAC Name(2R)-2-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
SMILESCn1cnnc1[C@H]1CCCN1C(=O)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C12H13F3N6OS/c1-20-6-17-19-9(20)7-3-2-4-21(7)11(22)18-10-16-5-8(23-10)12(13,14)15/h5-7H,2-4H2,1H3,(H,16,18,22)/t7-/m1/s1
InChIKeyWIZLDDSQDKKVPU-SSDOTTSWSA-N
XLogP2.66
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide (CID 125138491) is (2R)-2-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide is Cn1cnnc1[C@H]1CCCN1C(=O)Nc1ncc(C(F)(F)F)s1.
What is the InChIKey of (2R)-2-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is WIZLDDSQDKKVPU-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H13F3N6OS/c1-20-6-17-19-9(20)7-3-2-4-21(7)11(22)18-10-16-5-8(23-10)12(13,14)15/h5-7H,2-4H2,1H3,(H,16,18,22)/t7-/m1/s1.
What are the key properties of (2R)-2-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
(2R)-2-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 346.34 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 125138491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).