1-ethyl-3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiourea

C9H14N4OS2 — CID 8746565

IUPAC1-ethyl-3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiourea
SMILESCCNC(=S)NNC(=O)Cc1csc(C)n1
InChIInChI=1S/C9H14N4OS2/c1-3-10-9(15)13-12-8(14)4-7-5-16-6(2)11-7/h5H,3-4H2,1-2H3,(H,12,14)(H2,10,13,15)
InChIKeyZGTQSBNYFQJXKA-UHFFFAOYSA-N
MW258.37 g/mol
LogP0.51
Rot. Bonds3

About 1-ethyl-3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiourea

1-ethyl-3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiourea (PubChem CID 8746565) has the molecular formula C9H14N4OS2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-ethyl-3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiourea.

Molecular Properties

Compound Name1-ethyl-3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiourea
PubChem CID8746565
Molecular FormulaC9H14N4OS2
Molecular Weight258.37 g/mol
Exact Mass258.06
IUPAC Name1-ethyl-3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiourea
SMILESCCNC(=S)NNC(=O)Cc1csc(C)n1
InChIInChI=1S/C9H14N4OS2/c1-3-10-9(15)13-12-8(14)4-7-5-16-6(2)11-7/h5H,3-4H2,1-2H3,(H,12,14)(H2,10,13,15)
InChIKeyZGTQSBNYFQJXKA-UHFFFAOYSA-N
XLogP0.51
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R,2S)-2-methylcyclohexyl]-3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiourea
CID 8746786
2,2-dimethyl-5-[2-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]hydrazinyl]-5-oxopentanoic acid
CID 166385996
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850
N-[(2-methylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31251684
N,N-dimethyl-3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanamide
CID 55752087
1-(ethylamino)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 116562631
1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 62799842
N-(2-chloroprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 115636734
N-(2-bromoprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 115594716
2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 43630580
2-[2-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]acetic acid
CID 81311652
diethyl 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanedioate
CID 43409386

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiourea?
The IUPAC name of 1-ethyl-3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiourea (CID 8746565) is 1-ethyl-3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiourea.
What is the SMILES notation for 1-ethyl-3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiourea?
The canonical SMILES for 1-ethyl-3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiourea is CCNC(=S)NNC(=O)Cc1csc(C)n1.
What is the InChIKey of 1-ethyl-3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiourea?
The InChIKey is ZGTQSBNYFQJXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS2/c1-3-10-9(15)13-12-8(14)4-7-5-16-6(2)11-7/h5H,3-4H2,1-2H3,(H,12,14)(H2,10,13,15).
What are the key properties of 1-ethyl-3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiourea?
1-ethyl-3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiourea has a molecular weight of 258.37 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiourea is sourced from PubChem (CID 8746565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).