5-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-2H-triazole-4-carboxamide

C13H17N5O3S — CID 91793986

IUPAC5-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1
InChIInChI=1S/C13H17N5O3S/c1-8-12(17-18-16-8)13(19)15-10-2-3-20-5-11(10)21-4-9-6-22-7-14-9/h6-7,10-11H,2-5H2,1H3,(H,15,19)(H,16,17,18)/t10-,11-/m1/s1
InChIKeyMVEQSVFBRMJGSK-GHMZBOCLSA-N
MW323.38 g/mol
LogP0.67
Rot. Bonds5

About 5-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-2H-triazole-4-carboxamide

5-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-2H-triazole-4-carboxamide (PubChem CID 91793986) has the molecular formula C13H17N5O3S and a molecular weight of 323.38 g/mol. Its IUPAC name is 5-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-2H-triazole-4-carboxamide
PubChem CID91793986
Molecular FormulaC13H17N5O3S
Molecular Weight323.38 g/mol
Exact Mass323.11
IUPAC Name5-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1
InChIInChI=1S/C13H17N5O3S/c1-8-12(17-18-16-8)13(19)15-10-2-3-20-5-11(10)21-4-9-6-22-7-14-9/h6-7,10-11H,2-5H2,1H3,(H,15,19)(H,16,17,18)/t10-,11-/m1/s1
InChIKeyMVEQSVFBRMJGSK-GHMZBOCLSA-N
XLogP0.67
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrrole-2-carboxamide
CID 91794482
N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 91772273
3-amino-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1,2-thiazole-4-carboxamide
CID 91762940
4-(hydroxymethyl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridine-2-carboxamide
CID 91797119
4-cyano-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrrole-2-carboxamide
CID 91765856
4-chloro-2-hydroxy-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide
CID 91795550
N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1,3-benzodioxole-5-carboxamide
CID 91759736
N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]quinoxaline-2-carboxamide
CID 91789371
2-(azepan-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide
CID 91781794
5-cyclopropyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-pyrazole-3-carboxamide
CID 91779561
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide
CID 91774352
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide
CID 91769713

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-2H-triazole-4-carboxamide (CID 91793986) is 5-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-2H-triazole-4-carboxamide is Cc1n[nH]nc1C(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1.
What is the InChIKey of 5-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-2H-triazole-4-carboxamide?
The InChIKey is MVEQSVFBRMJGSK-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H17N5O3S/c1-8-12(17-18-16-8)13(19)15-10-2-3-20-5-11(10)21-4-9-6-22-7-14-9/h6-7,10-11H,2-5H2,1H3,(H,15,19)(H,16,17,18)/t10-,11-/m1/s1.
What are the key properties of 5-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-2H-triazole-4-carboxamide?
5-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-2H-triazole-4-carboxamide has a molecular weight of 323.38 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 91793986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).