N-cyclopropyl-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)acetamide

C16H27N5O2S — CID 87019794

IUPACN-cyclopropyl-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C(=O)CSc1nnc(N2CCOCC2)n1C)C1CC1
InChIInChI=1S/C16H27N5O2S/c1-12(2)10-21(13-4-5-13)14(22)11-24-16-18-17-15(19(16)3)20-6-8-23-9-7-20/h12-13H,4-11H2,1-3H3
InChIKeyJKHZIJZXTSMMBU-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.39
Rot. Bonds7

About N-cyclopropyl-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)acetamide

N-cyclopropyl-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)acetamide (PubChem CID 87019794) has the molecular formula C16H27N5O2S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)acetamide
PubChem CID87019794
Molecular FormulaC16H27N5O2S
Molecular Weight353.49 g/mol
Exact Mass353.19
IUPAC NameN-cyclopropyl-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C(=O)CSc1nnc(N2CCOCC2)n1C)C1CC1
InChIInChI=1S/C16H27N5O2S/c1-12(2)10-21(13-4-5-13)14(22)11-24-16-18-17-15(19(16)3)20-6-8-23-9-7-20/h12-13H,4-11H2,1-3H3
InChIKeyJKHZIJZXTSMMBU-UHFFFAOYSA-N
XLogP1.39
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)acetamide with MolForge

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Related Compounds

2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide
CID 46445410
2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropyl-N-(2-methylpropyl)acetamide
CID 87019730
N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-2-[[4-(oxolan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 24591574
2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 16585681
N-carbamoyl-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 46445488
N-cyclopropyl-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 87018572
N-(1,1-dioxothiolan-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 4535681
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropyl-N-ethylacetamide
CID 54955097
2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
CID 43411562
N-cyclopropyl-N-(2-methylpropyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 87019355
N-benzyl-N-cyclopropyl-2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55845558
N-methyl-2-[methyl-[2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide
CID 9378842

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)acetamide?
The IUPAC name of N-cyclopropyl-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)acetamide (CID 87019794) is N-cyclopropyl-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)acetamide is CC(C)CN(C(=O)CSc1nnc(N2CCOCC2)n1C)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)acetamide?
The InChIKey is JKHZIJZXTSMMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2S/c1-12(2)10-21(13-4-5-13)14(22)11-24-16-18-17-15(19(16)3)20-6-8-23-9-7-20/h12-13H,4-11H2,1-3H3.
What are the key properties of N-cyclopropyl-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)acetamide?
N-cyclopropyl-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)acetamide has a molecular weight of 353.49 g/mol, XLogP of 1.39, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 87019794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).