1-[(2R)-1-hydroxybutan-2-yl]-3-(4-propan-2-ylphenyl)thiourea

C14H22N2OS — CID 8624683

IUPAC1-[(2R)-1-hydroxybutan-2-yl]-3-(4-propan-2-ylphenyl)thiourea
SMILESCC[C@H](CO)NC(=S)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C14H22N2OS/c1-4-12(9-17)15-14(18)16-13-7-5-11(6-8-13)10(2)3/h5-8,10,12,17H,4,9H2,1-3H3,(H2,15,16,18)/t12-/m1/s1
InChIKeyBFQWDGCQNVVOQG-GFCCVEGCSA-N
MW266.41 g/mol
LogP2.87
Rot. Bonds5

About 1-[(2R)-1-hydroxybutan-2-yl]-3-(4-propan-2-ylphenyl)thiourea

1-[(2R)-1-hydroxybutan-2-yl]-3-(4-propan-2-ylphenyl)thiourea (PubChem CID 8624683) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[(2R)-1-hydroxybutan-2-yl]-3-(4-propan-2-ylphenyl)thiourea.

Molecular Properties

Compound Name1-[(2R)-1-hydroxybutan-2-yl]-3-(4-propan-2-ylphenyl)thiourea
PubChem CID8624683
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-[(2R)-1-hydroxybutan-2-yl]-3-(4-propan-2-ylphenyl)thiourea
SMILESCC[C@H](CO)NC(=S)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C14H22N2OS/c1-4-12(9-17)15-14(18)16-13-7-5-11(6-8-13)10(2)3/h5-8,10,12,17H,4,9H2,1-3H3,(H2,15,16,18)/t12-/m1/s1
InChIKeyBFQWDGCQNVVOQG-GFCCVEGCSA-N
XLogP2.87
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-[(2R)-1-hydroxybutan-2-yl]thiourea
CID 7303154
N'-[(2S)-1-hydroxybutan-2-yl]-N-(4-propan-2-ylphenyl)oxamide
CID 51471886
1-(4-chlorophenyl)-3-pentan-3-ylthiourea
CID 8669297
1-[4-(difluoromethoxy)phenyl]-3-[(2R)-1-hydroxybutan-2-yl]thiourea
CID 8624694
1-[(2R)-1-hydroxybutan-2-yl]-3-(4-nitrophenyl)thiourea
CID 8624708
1-[(1S)-1-(2-methylphenyl)propyl]-3-(4-propan-2-ylphenyl)thiourea
CID 100744697
1-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(4-propan-2-ylphenyl)thiourea
CID 100742977
N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032259
N-[(2R)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032260
1-decyl-3-(4-propan-2-ylphenyl)thiourea
CID 19651185
1-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8655758
1-(pentan-3-ylideneamino)-3-(4-propan-2-ylphenyl)thiourea
CID 18225939

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-hydroxybutan-2-yl]-3-(4-propan-2-ylphenyl)thiourea?
The IUPAC name of 1-[(2R)-1-hydroxybutan-2-yl]-3-(4-propan-2-ylphenyl)thiourea (CID 8624683) is 1-[(2R)-1-hydroxybutan-2-yl]-3-(4-propan-2-ylphenyl)thiourea.
What is the SMILES notation for 1-[(2R)-1-hydroxybutan-2-yl]-3-(4-propan-2-ylphenyl)thiourea?
The canonical SMILES for 1-[(2R)-1-hydroxybutan-2-yl]-3-(4-propan-2-ylphenyl)thiourea is CC[C@H](CO)NC(=S)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 1-[(2R)-1-hydroxybutan-2-yl]-3-(4-propan-2-ylphenyl)thiourea?
The InChIKey is BFQWDGCQNVVOQG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-4-12(9-17)15-14(18)16-13-7-5-11(6-8-13)10(2)3/h5-8,10,12,17H,4,9H2,1-3H3,(H2,15,16,18)/t12-/m1/s1.
What are the key properties of 1-[(2R)-1-hydroxybutan-2-yl]-3-(4-propan-2-ylphenyl)thiourea?
1-[(2R)-1-hydroxybutan-2-yl]-3-(4-propan-2-ylphenyl)thiourea has a molecular weight of 266.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-hydroxybutan-2-yl]-3-(4-propan-2-ylphenyl)thiourea is sourced from PubChem (CID 8624683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).