[1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylideneamino]thiourea

C7H11N5S2 — CID 676481

IUPAC[1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylideneamino]thiourea
SMILESCC(=NNC(N)=S)c1sc(N)nc1C
InChIInChI=1S/C7H11N5S2/c1-3-5(14-7(9)10-3)4(2)11-12-6(8)13/h1-2H3,(H2,9,10)(H3,8,12,13)
InChIKeyQTHCRTXNMOOOJA-UHFFFAOYSA-N
MW229.33 g/mol
LogP0.59
Rot. Bonds2

About [1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylideneamino]thiourea

[1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylideneamino]thiourea (PubChem CID 676481) has the molecular formula C7H11N5S2 and a molecular weight of 229.33 g/mol. Its IUPAC name is [1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylideneamino]thiourea.

Molecular Properties

Compound Name[1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylideneamino]thiourea
PubChem CID676481
Molecular FormulaC7H11N5S2
Molecular Weight229.33 g/mol
Exact Mass229.05
IUPAC Name[1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylideneamino]thiourea
SMILESCC(=NNC(N)=S)c1sc(N)nc1C
InChIInChI=1S/C7H11N5S2/c1-3-5(14-7(9)10-3)4(2)11-12-6(8)13/h1-2H3,(H2,9,10)(H3,8,12,13)
InChIKeyQTHCRTXNMOOOJA-UHFFFAOYSA-N
XLogP0.59
TPSA89.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]thiourea
CID 14612310
2-amino-N-[1-(4-chlorophenyl)ethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 3145256
2-amino-4-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1,3-thiazole-5-carboxamide
CID 20997820
2-amino-4-methyl-N-[1-(4-piperidin-1-ylphenyl)ethylideneamino]-1,3-thiazole-5-carboxamide
CID 71899022
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
[1-[6-[N-(carbamothioylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]thiourea
CID 3940512
2-amino-4-methyl-1,3-thiazole-5-carboximidamide
CID 158488916
[(E)-1-(4,5,12-trimethyl-2-oxo-6,10-dithia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-11-yl)ethylideneamino]thiourea
CID 177397980
4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]-3,5-dimethylpyrazole-1-carbothioamide
CID 15048458
2-amino-N-(2-amino-2-oxoethoxy)-4-methyl-1,3-thiazole-5-carboxamide
CID 112674174
[1-[2-(dimethylamino)-4-methylpyrimidin-5-yl]ethylideneamino]thiourea
CID 5139503
[1-(2-methylphenyl)ethylideneamino]thiourea
CID 76872325

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylideneamino]thiourea?
The IUPAC name of [1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylideneamino]thiourea (CID 676481) is [1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylideneamino]thiourea.
What is the SMILES notation for [1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylideneamino]thiourea?
The canonical SMILES for [1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylideneamino]thiourea is CC(=NNC(N)=S)c1sc(N)nc1C.
What is the InChIKey of [1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylideneamino]thiourea?
The InChIKey is QTHCRTXNMOOOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5S2/c1-3-5(14-7(9)10-3)4(2)11-12-6(8)13/h1-2H3,(H2,9,10)(H3,8,12,13).
What are the key properties of [1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylideneamino]thiourea?
[1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylideneamino]thiourea has a molecular weight of 229.33 g/mol, XLogP of 0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylideneamino]thiourea is sourced from PubChem (CID 676481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).