2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide

C16H29N5O2S — CID 46445410

IUPAC2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide
SMILESCC(Sc1nnc(N2CCOCC2)n1C)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C16H29N5O2S/c1-11(2)21(12(3)4)14(22)13(5)24-16-18-17-15(19(16)6)20-7-9-23-10-8-20/h11-13H,7-10H2,1-6H3
InChIKeyUCKRCTYKRKFLLW-UHFFFAOYSA-N
MW355.51 g/mol
LogP1.78
Rot. Bonds6

About 2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide

2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide (PubChem CID 46445410) has the molecular formula C16H29N5O2S and a molecular weight of 355.51 g/mol. Its IUPAC name is 2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide
PubChem CID46445410
Molecular FormulaC16H29N5O2S
Molecular Weight355.51 g/mol
Exact Mass355.20
IUPAC Name2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide
SMILESCC(Sc1nnc(N2CCOCC2)n1C)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C16H29N5O2S/c1-11(2)21(12(3)4)14(22)13(5)24-16-18-17-15(19(16)6)20-7-9-23-10-8-20/h11-13H,7-10H2,1-6H3
InChIKeyUCKRCTYKRKFLLW-UHFFFAOYSA-N
XLogP1.78
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-carbamoyl-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 46445488
(2S)-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylpropanamide
CID 9378622
(2R)-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylpropanamide
CID 9378623
N-cyclopropyl-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 87019794
2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 17418205
2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide
CID 24500131
(2S)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide
CID 8889345
(2S)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide
CID 8725772
(2S)-N-cyclopropyl-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 9378598
(2R)-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide
CID 9378626
2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethylpropanamide
CID 51210135
2-[(4-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 51210197

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide?
The IUPAC name of 2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide (CID 46445410) is 2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for 2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for 2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide is CC(Sc1nnc(N2CCOCC2)n1C)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide?
The InChIKey is UCKRCTYKRKFLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O2S/c1-11(2)21(12(3)4)14(22)13(5)24-16-18-17-15(19(16)6)20-7-9-23-10-8-20/h11-13H,7-10H2,1-6H3.
What are the key properties of 2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide?
2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide has a molecular weight of 355.51 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 46445410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).