N-(2-amino-2-sulfanylideneethyl)-N'-(4-propan-2-yl-1,3-thiazol-2-yl)oxamide

C10H14N4O2S2 — CID 54959134

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-(4-propan-2-yl-1,3-thiazol-2-yl)oxamide
SMILESCC(C)c1csc(NC(=O)C(=O)NCC(N)=S)n1
InChIInChI=1S/C10H14N4O2S2/c1-5(2)6-4-18-10(13-6)14-9(16)8(15)12-3-7(11)17/h4-5H,3H2,1-2H3,(H2,11,17)(H,12,15)(H,13,14,16)
InChIKeyVVGDSTCIAMRMMX-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.61
Rot. Bonds4

About N-(2-amino-2-sulfanylideneethyl)-N'-(4-propan-2-yl-1,3-thiazol-2-yl)oxamide

N-(2-amino-2-sulfanylideneethyl)-N'-(4-propan-2-yl-1,3-thiazol-2-yl)oxamide (PubChem CID 54959134) has the molecular formula C10H14N4O2S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-(4-propan-2-yl-1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-(4-propan-2-yl-1,3-thiazol-2-yl)oxamide
PubChem CID54959134
Molecular FormulaC10H14N4O2S2
Molecular Weight286.38 g/mol
Exact Mass286.06
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-(4-propan-2-yl-1,3-thiazol-2-yl)oxamide
SMILESCC(C)c1csc(NC(=O)C(=O)NCC(N)=S)n1
InChIInChI=1S/C10H14N4O2S2/c1-5(2)6-4-18-10(13-6)14-9(16)8(15)12-3-7(11)17/h4-5H,3H2,1-2H3,(H2,11,17)(H,12,15)(H,13,14,16)
InChIKeyVVGDSTCIAMRMMX-UHFFFAOYSA-N
XLogP0.61
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 58913263
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78973473
(2R)-2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 79013002
4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 61482708
N'-(2-amino-2-sulfanylideneethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide
CID 54962805
3-amino-2,2,3-trimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 65270029
tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 65142790
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-sulfanylpropanamide
CID 107025335
2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 47122981
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide
CID 103794300
2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide
CID 54958530
[4-(1-aminoethyl)-1,3-thiazol-2-yl]urea
CID 64557109

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(4-propan-2-yl-1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(4-propan-2-yl-1,3-thiazol-2-yl)oxamide (CID 54959134) is N-(2-amino-2-sulfanylideneethyl)-N'-(4-propan-2-yl-1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-(4-propan-2-yl-1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-(4-propan-2-yl-1,3-thiazol-2-yl)oxamide is CC(C)c1csc(NC(=O)C(=O)NCC(N)=S)n1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-(4-propan-2-yl-1,3-thiazol-2-yl)oxamide?
The InChIKey is VVGDSTCIAMRMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S2/c1-5(2)6-4-18-10(13-6)14-9(16)8(15)12-3-7(11)17/h4-5H,3H2,1-2H3,(H2,11,17)(H,12,15)(H,13,14,16).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-(4-propan-2-yl-1,3-thiazol-2-yl)oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-(4-propan-2-yl-1,3-thiazol-2-yl)oxamide has a molecular weight of 286.38 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N'-(4-propan-2-yl-1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 54959134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).