N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

C15H24N2O2S2 — CID 99634220

IUPACN-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCCC1(CC)[C@@H](NC(=O)Cc2sc(=S)[nH]c2C)C[C@H]1OC
InChIInChI=1S/C15H24N2O2S2/c1-5-15(6-2)11(8-12(15)19-4)17-13(18)7-10-9(3)16-14(20)21-10/h11-12H,5-8H2,1-4H3,(H,16,20)(H,17,18)/t11-,12+/m0/s1
InChIKeyBPOIJIHLXDOLSW-NWDGAFQWSA-N
MW328.50 g/mol
LogP3.37
Rot. Bonds6

About N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 99634220) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID99634220
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC NameN-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCCC1(CC)[C@@H](NC(=O)Cc2sc(=S)[nH]c2C)C[C@H]1OC
InChIInChI=1S/C15H24N2O2S2/c1-5-15(6-2)11(8-12(15)19-4)17-13(18)7-10-9(3)16-14(20)21-10/h11-12H,5-8H2,1-4H3,(H,16,20)(H,17,18)/t11-,12+/m0/s1
InChIKeyBPOIJIHLXDOLSW-NWDGAFQWSA-N
XLogP3.37
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 99634220) is N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is CCC1(CC)[C@@H](NC(=O)Cc2sc(=S)[nH]c2C)C[C@H]1OC.
What is the InChIKey of N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is BPOIJIHLXDOLSW-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-5-15(6-2)11(8-12(15)19-4)17-13(18)7-10-9(3)16-14(20)21-10/h11-12H,5-8H2,1-4H3,(H,16,20)(H,17,18)/t11-,12+/m0/s1.
What are the key properties of N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 328.50 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 99634220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).