(2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide

C14H20N6O2S — CID 96510651

IUPAC(2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide
SMILESCc1nc([C@@H]2CN([C@@H](C)C(=O)Nc3ncc(C)s3)CCO2)n[nH]1
InChIInChI=1S/C14H20N6O2S/c1-8-6-15-14(23-8)17-13(21)9(2)20-4-5-22-11(7-20)12-16-10(3)18-19-12/h6,9,11H,4-5,7H2,1-3H3,(H,15,17,21)(H,16,18,19)/t9-,11-/m0/s1
InChIKeyOVEHWWRENJLBOT-ONGXEEELSA-N
MW336.42 g/mol
LogP1.28
Rot. Bonds4

About (2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide

(2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide (PubChem CID 96510651) has the molecular formula C14H20N6O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is (2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide
PubChem CID96510651
Molecular FormulaC14H20N6O2S
Molecular Weight336.42 g/mol
Exact Mass336.14
IUPAC Name(2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide
SMILESCc1nc([C@@H]2CN([C@@H](C)C(=O)Nc3ncc(C)s3)CCO2)n[nH]1
InChIInChI=1S/C14H20N6O2S/c1-8-6-15-14(23-8)17-13(21)9(2)20-4-5-22-11(7-20)12-16-10(3)18-19-12/h6,9,11H,4-5,7H2,1-3H3,(H,15,17,21)(H,16,18,19)/t9-,11-/m0/s1
InChIKeyOVEHWWRENJLBOT-ONGXEEELSA-N
XLogP1.28
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 71928098
(2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 98791286
(2R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide
CID 98774996
(2R)-2-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 129426812
(2R)-N-(furan-2-ylmethyl)-N-methyl-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide
CID 98774993
(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[(1R)-1-pyridin-4-ylethyl]morpholine
CID 98772589
N-(5-cyclopropyl-1,3-thiazol-2-yl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 154868509
(2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 100842922
2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 71928117
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propanamide
CID 71872317
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 96511624
N-(1,3-benzothiazol-2-yl)-2-(2-methylmorpholin-4-yl)propanamide
CID 60507938

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide?
The IUPAC name of (2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide (CID 96510651) is (2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide.
What is the SMILES notation for (2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide?
The canonical SMILES for (2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide is Cc1nc([C@@H]2CN([C@@H](C)C(=O)Nc3ncc(C)s3)CCO2)n[nH]1.
What is the InChIKey of (2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide?
The InChIKey is OVEHWWRENJLBOT-ONGXEEELSA-N. The full InChI is InChI=1S/C14H20N6O2S/c1-8-6-15-14(23-8)17-13(21)9(2)20-4-5-22-11(7-20)12-16-10(3)18-19-12/h6,9,11H,4-5,7H2,1-3H3,(H,15,17,21)(H,16,18,19)/t9-,11-/m0/s1.
What are the key properties of (2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide?
(2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide has a molecular weight of 336.42 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide is sourced from PubChem (CID 96510651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).