(2R)-2-methyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]thiomorpholine-4-carboxamide

C15H19N5OS — CID 99715599

IUPAC(2R)-2-methyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]thiomorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2cccc(-c3ncn(C)n3)c2)CCS1
InChIInChI=1S/C15H19N5OS/c1-11-9-20(6-7-22-11)15(21)17-13-5-3-4-12(8-13)14-16-10-19(2)18-14/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,17,21)/t11-/m1/s1
InChIKeyOREAYKIWCXATFF-LLVKDONJSA-N
MW317.42 g/mol
LogP2.45
Rot. Bonds2

About (2R)-2-methyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]thiomorpholine-4-carboxamide

(2R)-2-methyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]thiomorpholine-4-carboxamide (PubChem CID 99715599) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is (2R)-2-methyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]thiomorpholine-4-carboxamide
PubChem CID99715599
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name(2R)-2-methyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]thiomorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2cccc(-c3ncn(C)n3)c2)CCS1
InChIInChI=1S/C15H19N5OS/c1-11-9-20(6-7-22-11)15(21)17-13-5-3-4-12(8-13)14-16-10-19(2)18-14/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,17,21)/t11-/m1/s1
InChIKeyOREAYKIWCXATFF-LLVKDONJSA-N
XLogP2.45
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-methyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]thiomorpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 122138815
cis-(1S,3R)-2,2-dimethyl-3-[[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122066619
5-methyl-1-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122102780
(3S)-3-[(2S)-2-methylthiomorpholine-4-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 95145547
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 126793079
4-ethyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 136522591
1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]urea
CID 126792281
1-methyl-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(1,3-thiazol-4-ylmethyl)urea
CID 86797483
1-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
CID 136530337
1-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 86797527
4-methoxy-N-[3-(2-methyltetrazol-5-yl)phenyl]piperidine-1-carboxamide
CID 118764405
3-methyl-1-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122089272

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]thiomorpholine-4-carboxamide?
The IUPAC name of (2R)-2-methyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]thiomorpholine-4-carboxamide (CID 99715599) is (2R)-2-methyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-methyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]thiomorpholine-4-carboxamide?
The canonical SMILES for (2R)-2-methyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]thiomorpholine-4-carboxamide is C[C@@H]1CN(C(=O)Nc2cccc(-c3ncn(C)n3)c2)CCS1.
What is the InChIKey of (2R)-2-methyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]thiomorpholine-4-carboxamide?
The InChIKey is OREAYKIWCXATFF-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-11-9-20(6-7-22-11)15(21)17-13-5-3-4-12(8-13)14-16-10-19(2)18-14/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,17,21)/t11-/m1/s1.
What are the key properties of (2R)-2-methyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]thiomorpholine-4-carboxamide?
(2R)-2-methyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]thiomorpholine-4-carboxamide has a molecular weight of 317.42 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 99715599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).