1-cyclohexyl-3-(1,3-thiazol-2-yl)thiourea

C10H15N3S2 — CID 4581435

IUPAC1-cyclohexyl-3-(1,3-thiazol-2-yl)thiourea
SMILESS=C(Nc1nccs1)NC1CCCCC1
InChIInChI=1S/C10H15N3S2/c14-9(13-10-11-6-7-15-10)12-8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,11,12,13,14)
InChIKeyLHJQCIXRAYSBKF-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.76
Rot. Bonds2

About 1-cyclohexyl-3-(1,3-thiazol-2-yl)thiourea

1-cyclohexyl-3-(1,3-thiazol-2-yl)thiourea (PubChem CID 4581435) has the molecular formula C10H15N3S2 and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1,3-thiazol-2-yl)thiourea
PubChem CID4581435
Molecular FormulaC10H15N3S2
Molecular Weight241.38 g/mol
Exact Mass241.07
IUPAC Name1-cyclohexyl-3-(1,3-thiazol-2-yl)thiourea
SMILESS=C(Nc1nccs1)NC1CCCCC1
InChIInChI=1S/C10H15N3S2/c14-9(13-10-11-6-7-15-10)12-8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,11,12,13,14)
InChIKeyLHJQCIXRAYSBKF-UHFFFAOYSA-N
XLogP2.76
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.76
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

1-((R)-1-Cyclohexyl-ethyl)-3-thiazol-2-yl-thiourea
CID 3002367
1-Cyclohexyl-3-(2-thiazolyl)urea
CID 307028
Urea, 1-methyl-3-(2-thiazolyl)-2-thio-
CID 3037328
1-((S)-1-Cyclohexyl-ethyl)-3-thiazol-2-yl-thiourea
CID 3002362
1-[2-(1-Piperidyl)ethyl]-3-thiazol-2-yl-thiourea
CID 3003035
Cambridge id 5570021
CID 842043
Cyclohexyl-thiazol-2-yl-amine
CID 842041
N-propyl-1,3-thiazol-2-amine
CID 12707503
N-Ethyl-1,3-thiazol-2-amine
CID 13699275
N-cyclopropyl-1,3-thiazol-2-amine
CID 28517512
N-(1,3-thiazol-2-yl)piperidin-4-amine
CID 43345808
1-(1,3-Thiazol-2-yl)piperidin-4-amine
CID 43430566

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1-cyclohexyl-3-(1,3-thiazol-2-yl)thiourea (CID 4581435) is 1-cyclohexyl-3-(1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(1,3-thiazol-2-yl)thiourea is S=C(Nc1nccs1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(1,3-thiazol-2-yl)thiourea?
The InChIKey is LHJQCIXRAYSBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S2/c14-9(13-10-11-6-7-15-10)12-8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,11,12,13,14).
What are the key properties of 1-cyclohexyl-3-(1,3-thiazol-2-yl)thiourea?
1-cyclohexyl-3-(1,3-thiazol-2-yl)thiourea has a molecular weight of 241.38 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 4581435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).