3-(1-methoxypropan-2-yl)-1-methyl-1-(1,3-thiazol-4-ylmethyl)thiourea

C10H17N3OS2 — CID 47950516

IUPAC3-(1-methoxypropan-2-yl)-1-methyl-1-(1,3-thiazol-4-ylmethyl)thiourea
SMILESCOCC(C)NC(=S)N(C)Cc1cscn1
InChIInChI=1S/C10H17N3OS2/c1-8(5-14-3)12-10(15)13(2)4-9-6-16-7-11-9/h6-8H,4-5H2,1-3H3,(H,12,15)
InChIKeyQABQXTVFEQRUEQ-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.48
Rot. Bonds5

About 3-(1-methoxypropan-2-yl)-1-methyl-1-(1,3-thiazol-4-ylmethyl)thiourea

3-(1-methoxypropan-2-yl)-1-methyl-1-(1,3-thiazol-4-ylmethyl)thiourea (PubChem CID 47950516) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-yl)-1-methyl-1-(1,3-thiazol-4-ylmethyl)thiourea.

Molecular Properties

Compound Name3-(1-methoxypropan-2-yl)-1-methyl-1-(1,3-thiazol-4-ylmethyl)thiourea
PubChem CID47950516
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC Name3-(1-methoxypropan-2-yl)-1-methyl-1-(1,3-thiazol-4-ylmethyl)thiourea
SMILESCOCC(C)NC(=S)N(C)Cc1cscn1
InChIInChI=1S/C10H17N3OS2/c1-8(5-14-3)12-10(15)13(2)4-9-6-16-7-11-9/h6-8H,4-5H2,1-3H3,(H,12,15)
InChIKeyQABQXTVFEQRUEQ-UHFFFAOYSA-N
XLogP1.48
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1-methoxypropan-2-yl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea
CID 115570922
3-(1-methoxypropan-2-yl)-1-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiourea
CID 116508868
N-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038066
(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670
N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62427011
3-(1-methoxypropan-2-yl)-1-methyl-1-(2-methylsulfanylethyl)thiourea
CID 115687485
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride
CID 120503373
3-(1-methoxypropan-2-yl)-1-methyl-1-pentan-2-ylthiourea
CID 115580720
2-methyl-3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 62669220
3-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-1-(1,3-thiazol-4-ylmethyl)urea
CID 127265828
1-cyclopropyl-3-(1-methoxypropan-2-yl)-1-(thiophen-3-ylmethyl)thiourea
CID 113227661
3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 55011798

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-yl)-1-methyl-1-(1,3-thiazol-4-ylmethyl)thiourea?
The IUPAC name of 3-(1-methoxypropan-2-yl)-1-methyl-1-(1,3-thiazol-4-ylmethyl)thiourea (CID 47950516) is 3-(1-methoxypropan-2-yl)-1-methyl-1-(1,3-thiazol-4-ylmethyl)thiourea.
What is the SMILES notation for 3-(1-methoxypropan-2-yl)-1-methyl-1-(1,3-thiazol-4-ylmethyl)thiourea?
The canonical SMILES for 3-(1-methoxypropan-2-yl)-1-methyl-1-(1,3-thiazol-4-ylmethyl)thiourea is COCC(C)NC(=S)N(C)Cc1cscn1.
What is the InChIKey of 3-(1-methoxypropan-2-yl)-1-methyl-1-(1,3-thiazol-4-ylmethyl)thiourea?
The InChIKey is QABQXTVFEQRUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-8(5-14-3)12-10(15)13(2)4-9-6-16-7-11-9/h6-8H,4-5H2,1-3H3,(H,12,15).
What are the key properties of 3-(1-methoxypropan-2-yl)-1-methyl-1-(1,3-thiazol-4-ylmethyl)thiourea?
3-(1-methoxypropan-2-yl)-1-methyl-1-(1,3-thiazol-4-ylmethyl)thiourea has a molecular weight of 259.40 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-yl)-1-methyl-1-(1,3-thiazol-4-ylmethyl)thiourea is sourced from PubChem (CID 47950516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).