N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

C16H20N4O2S2 — CID 99636315

IUPACN-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(N2CCOCC2)ccc1NC(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C16H20N4O2S2/c1-10-12(3-4-14(17-10)20-5-7-22-8-6-20)19-15(21)9-13-11(2)18-16(23)24-13/h3-4H,5-9H2,1-2H3,(H,18,23)(H,19,21)
InChIKeyPVQCIGVEIAOPFK-UHFFFAOYSA-N
MW364.50 g/mol
LogP2.84
Rot. Bonds4

About N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 99636315) has the molecular formula C16H20N4O2S2 and a molecular weight of 364.50 g/mol. Its IUPAC name is N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID99636315
Molecular FormulaC16H20N4O2S2
Molecular Weight364.50 g/mol
Exact Mass364.10
IUPAC NameN-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(N2CCOCC2)ccc1NC(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C16H20N4O2S2/c1-10-12(3-4-14(17-10)20-5-7-22-8-6-20)19-15(21)9-13-11(2)18-16(23)24-13/h3-4H,5-9H2,1-2H3,(H,18,23)(H,19,21)
InChIKeyPVQCIGVEIAOPFK-UHFFFAOYSA-N
XLogP2.84
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-6-morpholin-4-yl-3-pyridinyl)propanamide
CID 110178379
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CID 122032550
(2S,3S)-2-methyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)oxane-3-carboxamide
CID 128977896
N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-2-thiophen-3-ylacetamide
CID 11847199
2-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 67287742
1-methyl-3-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 146128859
N-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(1-oxo-2H-isoquinolin-3-yl)acetamide
CID 166286875
5-hydroxy-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 126794225
N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 166228625
N-(4-ethoxyphenyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 47127745
N-cyclopentyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 47125331
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 99636315) is N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is Cc1nc(N2CCOCC2)ccc1NC(=O)Cc1sc(=S)[nH]c1C.
What is the InChIKey of N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is PVQCIGVEIAOPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S2/c1-10-12(3-4-14(17-10)20-5-7-22-8-6-20)19-15(21)9-13-11(2)18-16(23)24-13/h3-4H,5-9H2,1-2H3,(H,18,23)(H,19,21).
What are the key properties of N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 364.50 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 99636315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).