1-[(2R)-2-hydroxypropyl]-3-(1-methylcyclopropyl)thiourea

C8H16N2OS — CID 130636579

IUPAC1-[(2R)-2-hydroxypropyl]-3-(1-methylcyclopropyl)thiourea
SMILESC[C@@H](O)CNC(=S)NC1(C)CC1
InChIInChI=1S/C8H16N2OS/c1-6(11)5-9-7(12)10-8(2)3-4-8/h6,11H,3-5H2,1-2H3,(H2,9,10,12)/t6-/m1/s1
InChIKeyKFQKSWIVJWRLRI-ZCFIWIBFSA-N
MW188.30 g/mol
LogP0.38
Rot. Bonds3

About 1-[(2R)-2-hydroxypropyl]-3-(1-methylcyclopropyl)thiourea

1-[(2R)-2-hydroxypropyl]-3-(1-methylcyclopropyl)thiourea (PubChem CID 130636579) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxypropyl]-3-(1-methylcyclopropyl)thiourea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxypropyl]-3-(1-methylcyclopropyl)thiourea
PubChem CID130636579
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name1-[(2R)-2-hydroxypropyl]-3-(1-methylcyclopropyl)thiourea
SMILESC[C@@H](O)CNC(=S)NC1(C)CC1
InChIInChI=1S/C8H16N2OS/c1-6(11)5-9-7(12)10-8(2)3-4-8/h6,11H,3-5H2,1-2H3,(H2,9,10,12)/t6-/m1/s1
InChIKeyKFQKSWIVJWRLRI-ZCFIWIBFSA-N
XLogP0.38
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2R)-2-hydroxypropyl]-3-(1-methylcyclopropyl)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

1-(1-methylcyclopentyl)-3-(2-methylpropyl)thiourea
CID 115593471
1-[(2S)-2-hydroxypropyl]-3-propylthiourea
CID 131211878
1-cyclobutyl-3-[(2S)-2-hydroxypropyl]thiourea
CID 131160107
1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)thiourea
CID 115618766
1-(4-methyloxan-4-yl)-3-propylthiourea
CID 116510244
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[(2S)-2-hydroxypropyl]thiourea
CID 11859375
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[(2R)-2-hydroxypropyl]thiourea
CID 98387964
1-amino-N-[(2S)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 93315414
1-hydroxy-N-(2-hydroxypropyl)cyclopentane-1-carboxamide
CID 130676498
1-(4-ethylphenyl)-3-[(2R)-2-hydroxypropyl]thiourea
CID 8615053
N-[(2R)-2-hydroxypropyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 107220990
1-(2,2-dimethylcyclopropyl)-3-(1-methylcyclopropyl)thiourea
CID 126993683

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxypropyl]-3-(1-methylcyclopropyl)thiourea?
The IUPAC name of 1-[(2R)-2-hydroxypropyl]-3-(1-methylcyclopropyl)thiourea (CID 130636579) is 1-[(2R)-2-hydroxypropyl]-3-(1-methylcyclopropyl)thiourea.
What is the SMILES notation for 1-[(2R)-2-hydroxypropyl]-3-(1-methylcyclopropyl)thiourea?
The canonical SMILES for 1-[(2R)-2-hydroxypropyl]-3-(1-methylcyclopropyl)thiourea is C[C@@H](O)CNC(=S)NC1(C)CC1.
What is the InChIKey of 1-[(2R)-2-hydroxypropyl]-3-(1-methylcyclopropyl)thiourea?
The InChIKey is KFQKSWIVJWRLRI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-6(11)5-9-7(12)10-8(2)3-4-8/h6,11H,3-5H2,1-2H3,(H2,9,10,12)/t6-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxypropyl]-3-(1-methylcyclopropyl)thiourea?
1-[(2R)-2-hydroxypropyl]-3-(1-methylcyclopropyl)thiourea has a molecular weight of 188.30 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxypropyl]-3-(1-methylcyclopropyl)thiourea is sourced from PubChem (CID 130636579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).