1-(3-ethoxypropyl)-3-(1,3-thiazol-4-ylmethyl)thiourea

C10H17N3OS2 — CID 49314040

IUPAC1-(3-ethoxypropyl)-3-(1,3-thiazol-4-ylmethyl)thiourea
SMILESCCOCCCNC(=S)NCc1cscn1
InChIInChI=1S/C10H17N3OS2/c1-2-14-5-3-4-11-10(15)12-6-9-7-16-8-13-9/h7-8H,2-6H2,1H3,(H2,11,12,15)
InChIKeyLRVWPPDSCBPOLT-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.53
Rot. Bonds7

About 1-(3-ethoxypropyl)-3-(1,3-thiazol-4-ylmethyl)thiourea

1-(3-ethoxypropyl)-3-(1,3-thiazol-4-ylmethyl)thiourea (PubChem CID 49314040) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-(1,3-thiazol-4-ylmethyl)thiourea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-(1,3-thiazol-4-ylmethyl)thiourea
PubChem CID49314040
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC Name1-(3-ethoxypropyl)-3-(1,3-thiazol-4-ylmethyl)thiourea
SMILESCCOCCCNC(=S)NCc1cscn1
InChIInChI=1S/C10H17N3OS2/c1-2-14-5-3-4-11-10(15)12-6-9-7-16-8-13-9/h7-8H,2-6H2,1H3,(H2,11,12,15)
InChIKeyLRVWPPDSCBPOLT-UHFFFAOYSA-N
XLogP1.53
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-3-[2-(1,3-thiazol-4-ylmethylamino)ethyl]thiourea
CID 20557651
1,3-Dimethyl-1-(1,3-thiazol-4-ylmethyl)thiourea
CID 22450488
1-Propan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548382
1-N,1-N'-dimethyl-1-N'-(1,3-thiazol-4-ylmethyl)ethene-1,1-diamine
CID 54532473
1,3-Thiazol-4-ylmethylthiourea
CID 63829400
Methyl 3-(2-methylguanidinothiazol-4-ylmethylthio)propionimidate
CID 70543989
1-Methyl-3-[2-[[2-[[2-(methylcarbamothioylamino)ethylamino]methyl]-1,3-thiazol-4-yl]methylamino]ethyl]thiourea
CID 88761702
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 4792445
1-Methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401
3-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 28781136
3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 28781522
3-(2-methylpropoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 28781590

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-(1,3-thiazol-4-ylmethyl)thiourea?
The IUPAC name of 1-(3-ethoxypropyl)-3-(1,3-thiazol-4-ylmethyl)thiourea (CID 49314040) is 1-(3-ethoxypropyl)-3-(1,3-thiazol-4-ylmethyl)thiourea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-(1,3-thiazol-4-ylmethyl)thiourea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-(1,3-thiazol-4-ylmethyl)thiourea is CCOCCCNC(=S)NCc1cscn1.
What is the InChIKey of 1-(3-ethoxypropyl)-3-(1,3-thiazol-4-ylmethyl)thiourea?
The InChIKey is LRVWPPDSCBPOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-2-14-5-3-4-11-10(15)12-6-9-7-16-8-13-9/h7-8H,2-6H2,1H3,(H2,11,12,15).
What are the key properties of 1-(3-ethoxypropyl)-3-(1,3-thiazol-4-ylmethyl)thiourea?
1-(3-ethoxypropyl)-3-(1,3-thiazol-4-ylmethyl)thiourea has a molecular weight of 259.40 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-(1,3-thiazol-4-ylmethyl)thiourea is sourced from PubChem (CID 49314040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).