N-(cyclopropylmethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide

C13H20N2OS2 — CID 103622720

IUPACN-(cyclopropylmethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide
SMILESCc1[nH]c(=S)sc1CC(=O)N(CC1CC1)C(C)C
InChIInChI=1S/C13H20N2OS2/c1-8(2)15(7-10-4-5-10)12(16)6-11-9(3)14-13(17)18-11/h8,10H,4-7H2,1-3H3,(H,14,17)
InChIKeyWAIQREFXQCAZOC-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.30
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide

N-(cyclopropylmethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide (PubChem CID 103622720) has the molecular formula C13H20N2OS2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide
PubChem CID103622720
Molecular FormulaC13H20N2OS2
Molecular Weight284.45 g/mol
Exact Mass284.10
IUPAC NameN-(cyclopropylmethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide
SMILESCc1[nH]c(=S)sc1CC(=O)N(CC1CC1)C(C)C
InChIInChI=1S/C13H20N2OS2/c1-8(2)15(7-10-4-5-10)12(16)6-11-9(3)14-13(17)18-11/h8,10H,4-7H2,1-3H3,(H,14,17)
InChIKeyWAIQREFXQCAZOC-UHFFFAOYSA-N
XLogP3.30
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(cyclopropylmethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide (CID 103622720) is N-(cyclopropylmethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide is Cc1[nH]c(=S)sc1CC(=O)N(CC1CC1)C(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide?
The InChIKey is WAIQREFXQCAZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS2/c1-8(2)15(7-10-4-5-10)12(16)6-11-9(3)14-13(17)18-11/h8,10H,4-7H2,1-3H3,(H,14,17).
What are the key properties of N-(cyclopropylmethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide?
N-(cyclopropylmethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide has a molecular weight of 284.45 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 103622720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).