1-propyl-3-[2-(1,3-thiazol-4-yl)ethyl]thiourea

C9H15N3S2 — CID 115731914

IUPAC1-propyl-3-[2-(1,3-thiazol-4-yl)ethyl]thiourea
SMILESCCCNC(=S)NCCc1cscn1
InChIInChI=1S/C9H15N3S2/c1-2-4-10-9(13)11-5-3-8-6-14-7-12-8/h6-7H,2-5H2,1H3,(H2,10,11,13)
InChIKeyNDWFBOICLHHXBP-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.56
Rot. Bonds5

About 1-propyl-3-[2-(1,3-thiazol-4-yl)ethyl]thiourea

1-propyl-3-[2-(1,3-thiazol-4-yl)ethyl]thiourea (PubChem CID 115731914) has the molecular formula C9H15N3S2 and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-propyl-3-[2-(1,3-thiazol-4-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-propyl-3-[2-(1,3-thiazol-4-yl)ethyl]thiourea
PubChem CID115731914
Molecular FormulaC9H15N3S2
Molecular Weight229.37 g/mol
Exact Mass229.07
IUPAC Name1-propyl-3-[2-(1,3-thiazol-4-yl)ethyl]thiourea
SMILESCCCNC(=S)NCCc1cscn1
InChIInChI=1S/C9H15N3S2/c1-2-4-10-9(13)11-5-3-8-6-14-7-12-8/h6-7H,2-5H2,1H3,(H2,10,11,13)
InChIKeyNDWFBOICLHHXBP-UHFFFAOYSA-N
XLogP1.56
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3-[2-(1,3-thiazol-4-yl)ethyl]thiourea
CID 115731922
2-carbamothioyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 63826075
3-amino-2,2-dimethyl-3-sulfanylidene-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 63826251
1-methyl-3-[2-(1,3-thiazol-4-ylmethylamino)ethyl]thiourea
CID 20557651
2-(aminomethyl)-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 115432547
3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 65266866
2-cyano-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 63825896
4-heptyl-1,3-thiazole;octane
CID 91422595
2-[ethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 63824166
3-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 106112900
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propylthiourea
CID 115587578
6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol
CID 79794984

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[2-(1,3-thiazol-4-yl)ethyl]thiourea?
The IUPAC name of 1-propyl-3-[2-(1,3-thiazol-4-yl)ethyl]thiourea (CID 115731914) is 1-propyl-3-[2-(1,3-thiazol-4-yl)ethyl]thiourea.
What is the SMILES notation for 1-propyl-3-[2-(1,3-thiazol-4-yl)ethyl]thiourea?
The canonical SMILES for 1-propyl-3-[2-(1,3-thiazol-4-yl)ethyl]thiourea is CCCNC(=S)NCCc1cscn1.
What is the InChIKey of 1-propyl-3-[2-(1,3-thiazol-4-yl)ethyl]thiourea?
The InChIKey is NDWFBOICLHHXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S2/c1-2-4-10-9(13)11-5-3-8-6-14-7-12-8/h6-7H,2-5H2,1H3,(H2,10,11,13).
What are the key properties of 1-propyl-3-[2-(1,3-thiazol-4-yl)ethyl]thiourea?
1-propyl-3-[2-(1,3-thiazol-4-yl)ethyl]thiourea has a molecular weight of 229.37 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[2-(1,3-thiazol-4-yl)ethyl]thiourea is sourced from PubChem (CID 115731914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).