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

C10H17N3OS2 — CID 49314742

IUPAC1-(1-methoxypropan-2-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea
SMILESCOCC(C)NC(=S)NCCc1nccs1
InChIInChI=1S/C10H17N3OS2/c1-8(7-14-2)13-10(15)12-4-3-9-11-5-6-16-9/h5-6,8H,3-4,7H2,1-2H3,(H2,12,13,15)
InChIKeyUOZJBUMIEPJKMI-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.18
Rot. Bonds6

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

1-(1-methoxypropan-2-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea (PubChem CID 49314742) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea
PubChem CID49314742
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC Name1-(1-methoxypropan-2-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea
SMILESCOCC(C)NC(=S)NCCc1nccs1
InChIInChI=1S/C10H17N3OS2/c1-8(7-14-2)13-10(15)12-4-3-9-11-5-6-16-9/h5-6,8H,3-4,7H2,1-2H3,(H2,12,13,15)
InChIKeyUOZJBUMIEPJKMI-UHFFFAOYSA-N
XLogP1.18
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-1-methoxypropan-2-yl]-3-(2-phenylethyl)thiourea
CID 7941515
1-(1-methoxypropan-2-yl)-3-(2-propan-2-yloxyethyl)thiourea
CID 104587643
1-(1-methoxypropan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]thiourea
CID 115579102
1-(1-methoxypropan-2-yl)-3-(pyridin-2-ylmethyl)thiourea
CID 115570381
methyl 3-(1-methoxypropan-2-ylcarbamothioylamino)propanoate
CID 115577228
1-(1-methoxypropan-2-yl)-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiourea
CID 103882234
1-[(3-ethylthiophen-2-yl)methyl]-3-(1-methoxypropan-2-yl)thiourea
CID 113254036
1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea
CID 116508515
1-(1-methoxypropan-2-yl)-3-(pyridin-4-ylmethyl)thiourea
CID 115570382
5-methoxy-2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]pentanoic acid
CID 81082251
2-(2-methoxyethyl)-1,3-thiazole
CID 59275905
(2S)-2-amino-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
CID 63239799

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea?
The IUPAC name of 1-(1-methoxypropan-2-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea (CID 49314742) is 1-(1-methoxypropan-2-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea is COCC(C)NC(=S)NCCc1nccs1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea?
The InChIKey is UOZJBUMIEPJKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-8(7-14-2)13-10(15)12-4-3-9-11-5-6-16-9/h5-6,8H,3-4,7H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-(1-methoxypropan-2-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea?
1-(1-methoxypropan-2-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea has a molecular weight of 259.40 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea is sourced from PubChem (CID 49314742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).