N,N-bis(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

C10H16N2O3S2 — CID 113351058

IUPACN,N-bis(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)N(CCO)CCO
InChIInChI=1S/C10H16N2O3S2/c1-7-8(17-10(16)11-7)6-9(15)12(2-4-13)3-5-14/h13-14H,2-6H2,1H3,(H,11,16)
InChIKeyVSZKZCWSTFUOCU-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.47
Rot. Bonds6

About N,N-bis(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

N,N-bis(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 113351058) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID113351058
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC NameN,N-bis(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)N(CCO)CCO
InChIInChI=1S/C10H16N2O3S2/c1-7-8(17-10(16)11-7)6-9(15)12(2-4-13)3-5-14/h13-14H,2-6H2,1H3,(H,11,16)
InChIKeyVSZKZCWSTFUOCU-UHFFFAOYSA-N
XLogP0.47
TPSA76.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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,N-bis(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 113351058) is N,N-bis(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is Cc1[nH]c(=S)sc1CC(=O)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is VSZKZCWSTFUOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-7-8(17-10(16)11-7)6-9(15)12(2-4-13)3-5-14/h13-14H,2-6H2,1H3,(H,11,16).
What are the key properties of N,N-bis(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N,N-bis(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 113351058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).