1-[(2R)-2-cyclohexylpropyl]-3-(1,3-thiazol-2-yl)thiourea

C13H21N3S2 — CID 3008853

IUPAC1-[(2R)-2-cyclohexylpropyl]-3-(1,3-thiazol-2-yl)thiourea
SMILESC[C@@H](CNC(=S)Nc1nccs1)C1CCCCC1
InChIInChI=1S/C13H21N3S2/c1-10(11-5-3-2-4-6-11)9-15-12(17)16-13-14-7-8-18-13/h7-8,10-11H,2-6,9H2,1H3,(H2,14,15,16,17)/t10-/m0/s1
InChIKeyNBVNQHNGFLYJFL-JTQLQIEISA-N
MW283.47 g/mol
LogP3.65
Rot. Bonds4

About 1-[(2R)-2-cyclohexylpropyl]-3-(1,3-thiazol-2-yl)thiourea

1-[(2R)-2-cyclohexylpropyl]-3-(1,3-thiazol-2-yl)thiourea (PubChem CID 3008853) has the molecular formula C13H21N3S2 and a molecular weight of 283.47 g/mol. Its IUPAC name is 1-[(2R)-2-cyclohexylpropyl]-3-(1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1-[(2R)-2-cyclohexylpropyl]-3-(1,3-thiazol-2-yl)thiourea
PubChem CID3008853
Molecular FormulaC13H21N3S2
Molecular Weight283.47 g/mol
Exact Mass283.12
IUPAC Name1-[(2R)-2-cyclohexylpropyl]-3-(1,3-thiazol-2-yl)thiourea
SMILESC[C@@H](CNC(=S)Nc1nccs1)C1CCCCC1
InChIInChI=1S/C13H21N3S2/c1-10(11-5-3-2-4-6-11)9-15-12(17)16-13-14-7-8-18-13/h7-8,10-11H,2-6,9H2,1H3,(H2,14,15,16,17)/t10-/m0/s1
InChIKeyNBVNQHNGFLYJFL-JTQLQIEISA-N
XLogP3.65
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.47
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 3002367
CID 3002367
CID 3003031
CID 3003031
CID 3002362
CID 3002362
CID 842041
CID 842041
CID 3001256
CID 3001256
CID 3008854
CID 3008854
CID 138042313
CID 138042313
CID 164638139
CID 164638139
CID 567903
CID 567903
CID 4581435
CID 4581435
CID 79047843
CID 79047843
CID 112724238
CID 112724238

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-cyclohexylpropyl]-3-(1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1-[(2R)-2-cyclohexylpropyl]-3-(1,3-thiazol-2-yl)thiourea (CID 3008853) is 1-[(2R)-2-cyclohexylpropyl]-3-(1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1-[(2R)-2-cyclohexylpropyl]-3-(1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1-[(2R)-2-cyclohexylpropyl]-3-(1,3-thiazol-2-yl)thiourea is C[C@@H](CNC(=S)Nc1nccs1)C1CCCCC1.
What is the InChIKey of 1-[(2R)-2-cyclohexylpropyl]-3-(1,3-thiazol-2-yl)thiourea?
The InChIKey is NBVNQHNGFLYJFL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3S2/c1-10(11-5-3-2-4-6-11)9-15-12(17)16-13-14-7-8-18-13/h7-8,10-11H,2-6,9H2,1H3,(H2,14,15,16,17)/t10-/m0/s1.
What are the key properties of 1-[(2R)-2-cyclohexylpropyl]-3-(1,3-thiazol-2-yl)thiourea?
1-[(2R)-2-cyclohexylpropyl]-3-(1,3-thiazol-2-yl)thiourea has a molecular weight of 283.47 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-cyclohexylpropyl]-3-(1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 3008853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).