1-(1-methoxy-2-methylpropan-2-yl)-3-(2-methylpropyl)thiourea

C10H22N2OS — CID 115606395

IUPAC1-(1-methoxy-2-methylpropan-2-yl)-3-(2-methylpropyl)thiourea
SMILESCOCC(C)(C)NC(=S)NCC(C)C
InChIInChI=1S/C10H22N2OS/c1-8(2)6-11-9(14)12-10(3,4)7-13-5/h8H,6-7H2,1-5H3,(H2,11,12,14)
InChIKeyDJFGBRJAPBOUAN-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.53
Rot. Bonds5

About 1-(1-methoxy-2-methylpropan-2-yl)-3-(2-methylpropyl)thiourea

1-(1-methoxy-2-methylpropan-2-yl)-3-(2-methylpropyl)thiourea (PubChem CID 115606395) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 1-(1-methoxy-2-methylpropan-2-yl)-3-(2-methylpropyl)thiourea.

Molecular Properties

Compound Name1-(1-methoxy-2-methylpropan-2-yl)-3-(2-methylpropyl)thiourea
PubChem CID115606395
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name1-(1-methoxy-2-methylpropan-2-yl)-3-(2-methylpropyl)thiourea
SMILESCOCC(C)(C)NC(=S)NCC(C)C
InChIInChI=1S/C10H22N2OS/c1-8(2)6-11-9(14)12-10(3,4)7-13-5/h8H,6-7H2,1-5H3,(H2,11,12,14)
InChIKeyDJFGBRJAPBOUAN-UHFFFAOYSA-N
XLogP1.53
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-methoxy-2-methylpropan-2-yl)-3-(2-methylpropyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-methoxy-2-methylpropan-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 115609553
1-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)thiourea
CID 115629343
1-(1-methoxy-2-methylpropan-2-yl)-2-(2-methylpropyl)guanidine
CID 115629389
N,2,2-trimethyl-3-(2-methylpropylcarbamothioylamino)propanamide
CID 103822773
1-(2-methylpropyl)-3-(2,2,3,3-tetrafluoropropyl)thiourea
CID 103520307
1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylpropyl)thiourea
CID 115662944
1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)thiourea
CID 103603991
1-ethyl-3-(1-methoxy-2-methylpropan-2-yl)urea
CID 115690657
1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea
CID 5061824
1-(2-methylpropyl)-3-[1-(trifluoromethyl)cyclopropyl]thiourea
CID 106217409
1-(1-methoxy-2-methylpropan-2-yl)-3-methylurea
CID 115690659
3-methoxy-4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]butanoic acid
CID 103159951

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-2-methylpropan-2-yl)-3-(2-methylpropyl)thiourea?
The IUPAC name of 1-(1-methoxy-2-methylpropan-2-yl)-3-(2-methylpropyl)thiourea (CID 115606395) is 1-(1-methoxy-2-methylpropan-2-yl)-3-(2-methylpropyl)thiourea.
What is the SMILES notation for 1-(1-methoxy-2-methylpropan-2-yl)-3-(2-methylpropyl)thiourea?
The canonical SMILES for 1-(1-methoxy-2-methylpropan-2-yl)-3-(2-methylpropyl)thiourea is COCC(C)(C)NC(=S)NCC(C)C.
What is the InChIKey of 1-(1-methoxy-2-methylpropan-2-yl)-3-(2-methylpropyl)thiourea?
The InChIKey is DJFGBRJAPBOUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-8(2)6-11-9(14)12-10(3,4)7-13-5/h8H,6-7H2,1-5H3,(H2,11,12,14).
What are the key properties of 1-(1-methoxy-2-methylpropan-2-yl)-3-(2-methylpropyl)thiourea?
1-(1-methoxy-2-methylpropan-2-yl)-3-(2-methylpropyl)thiourea has a molecular weight of 218.37 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-2-methylpropan-2-yl)-3-(2-methylpropyl)thiourea is sourced from PubChem (CID 115606395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).