5-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]thiophene-3-carboxamide

C15H19N5O3S — CID 71872771

IUPAC5-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]thiophene-3-carboxamide
SMILESCC(C)c1n[nH]c(C2CN(C(=O)c3cc(C(N)=O)cs3)CCO2)n1
InChIInChI=1S/C15H19N5O3S/c1-8(2)13-17-14(19-18-13)10-6-20(3-4-23-10)15(22)11-5-9(7-24-11)12(16)21/h5,7-8,10H,3-4,6H2,1-2H3,(H2,16,21)(H,17,18,19)
InChIKeyUINMRGLWTFSBAT-UHFFFAOYSA-N
MW349.42 g/mol
LogP1.30
Rot. Bonds4

About 5-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]thiophene-3-carboxamide

5-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]thiophene-3-carboxamide (PubChem CID 71872771) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is 5-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]thiophene-3-carboxamide
PubChem CID71872771
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC Name5-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]thiophene-3-carboxamide
SMILESCC(C)c1n[nH]c(C2CN(C(=O)c3cc(C(N)=O)cs3)CCO2)n1
InChIInChI=1S/C15H19N5O3S/c1-8(2)13-17-14(19-18-13)10-6-20(3-4-23-10)15(22)11-5-9(7-24-11)12(16)21/h5,7-8,10H,3-4,6H2,1-2H3,(H2,16,21)(H,17,18,19)
InChIKeyUINMRGLWTFSBAT-UHFFFAOYSA-N
XLogP1.30
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]thiophene-3-carboxamide with MolForge

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Related Compounds

5-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide
CID 71872775
(2,5-dimethylthiophen-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 71928746
1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 71928762
1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 71928771
[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-thiophen-3-ylmethanone
CID 71928792
[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 71928794
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 71928822
2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 72122624
N-[(3-methylthiophen-2-yl)methyl]-2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]acetamide
CID 72122663
1-[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 72123268
[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-thiophen-3-ylmethanone
CID 72123293
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 72123392

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]thiophene-3-carboxamide?
The IUPAC name of 5-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]thiophene-3-carboxamide (CID 71872771) is 5-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]thiophene-3-carboxamide is CC(C)c1n[nH]c(C2CN(C(=O)c3cc(C(N)=O)cs3)CCO2)n1.
What is the InChIKey of 5-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]thiophene-3-carboxamide?
The InChIKey is UINMRGLWTFSBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-8(2)13-17-14(19-18-13)10-6-20(3-4-23-10)15(22)11-5-9(7-24-11)12(16)21/h5,7-8,10H,3-4,6H2,1-2H3,(H2,16,21)(H,17,18,19).
What are the key properties of 5-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]thiophene-3-carboxamide?
5-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]thiophene-3-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]thiophene-3-carboxamide is sourced from PubChem (CID 71872771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).