1-cyclohexyl-3-[(3S,6R)-6-(1H-imidazol-5-yl)oxan-3-yl]thiourea

C15H24N4OS — CID 23583515

IUPAC1-cyclohexyl-3-[(3S,6R)-6-(1H-imidazol-5-yl)oxan-3-yl]thiourea
SMILESS=C(NC1CCCCC1)N[C@H]1CC[C@H](c2cnc[nH]2)OC1
InChIInChI=1S/C15H24N4OS/c21-15(18-11-4-2-1-3-5-11)19-12-6-7-14(20-9-12)13-8-16-10-17-13/h8,10-12,14H,1-7,9H2,(H,16,17)(H2,18,19,21)/t12-,14+/m0/s1
InChIKeyFUJZOYBQMGTBJK-GXTWGEPZSA-N
MW308.45 g/mol
LogP2.43
Rot. Bonds3

About 1-cyclohexyl-3-[(3S,6R)-6-(1H-imidazol-5-yl)oxan-3-yl]thiourea

1-cyclohexyl-3-[(3S,6R)-6-(1H-imidazol-5-yl)oxan-3-yl]thiourea (PubChem CID 23583515) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(3S,6R)-6-(1H-imidazol-5-yl)oxan-3-yl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(3S,6R)-6-(1H-imidazol-5-yl)oxan-3-yl]thiourea
PubChem CID23583515
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name1-cyclohexyl-3-[(3S,6R)-6-(1H-imidazol-5-yl)oxan-3-yl]thiourea
SMILESS=C(NC1CCCCC1)N[C@H]1CC[C@H](c2cnc[nH]2)OC1
InChIInChI=1S/C15H24N4OS/c21-15(18-11-4-2-1-3-5-11)19-12-6-7-14(20-9-12)13-8-16-10-17-13/h8,10-12,14H,1-7,9H2,(H,16,17)(H2,18,19,21)/t12-,14+/m0/s1
InChIKeyFUJZOYBQMGTBJK-GXTWGEPZSA-N
XLogP2.43
TPSA61.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Guanidine, N-cyano-N''-methyl-N'-[[(2R,5R)-tetrahydro-5-(1H-imidazol-5-yl)-2-furanyl]methyl]-, rel-
CID 10106063
Imifuramine
CID 10197870
1-cyano-3-[[(2S,5R)-5-(1H-imidazol-5-yl)oxolan-2-yl]methyl]-2-methylguanidine
CID 10037650
[(2R,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methanamine
CID 10419556
[(2S,5R)-5-(1H-imidazol-5-yl)oxolan-2-yl]methanamine
CID 10583206
[(2S,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methanamine
CID 10678661
1-cyano-3-[[(2R,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methyl]-2-methylguanidine
CID 11086114
1-cyano-3-[[(2S,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methyl]-2-methylguanidine
CID 10879463
2-(1-methyl-1H-imidazol-5-yl)oxan-4-amine dihydrochloride
CID 91643431
1-Cyano-2-{[5-(1H-imidazol-4-yl)tetrahydro-2-furanyl]methyl}-3-methylguanidine
CID 49824228
2-(1-methyl-1H-imidazol-5-yl)oxan-4-amine
CID 66117149
4-(oxolan-2-yl)-1H-imidazole
CID 54028503

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(3S,6R)-6-(1H-imidazol-5-yl)oxan-3-yl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(3S,6R)-6-(1H-imidazol-5-yl)oxan-3-yl]thiourea (CID 23583515) is 1-cyclohexyl-3-[(3S,6R)-6-(1H-imidazol-5-yl)oxan-3-yl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(3S,6R)-6-(1H-imidazol-5-yl)oxan-3-yl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(3S,6R)-6-(1H-imidazol-5-yl)oxan-3-yl]thiourea is S=C(NC1CCCCC1)N[C@H]1CC[C@H](c2cnc[nH]2)OC1.
What is the InChIKey of 1-cyclohexyl-3-[(3S,6R)-6-(1H-imidazol-5-yl)oxan-3-yl]thiourea?
The InChIKey is FUJZOYBQMGTBJK-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H24N4OS/c21-15(18-11-4-2-1-3-5-11)19-12-6-7-14(20-9-12)13-8-16-10-17-13/h8,10-12,14H,1-7,9H2,(H,16,17)(H2,18,19,21)/t12-,14+/m0/s1.
What are the key properties of 1-cyclohexyl-3-[(3S,6R)-6-(1H-imidazol-5-yl)oxan-3-yl]thiourea?
1-cyclohexyl-3-[(3S,6R)-6-(1H-imidazol-5-yl)oxan-3-yl]thiourea has a molecular weight of 308.45 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(3S,6R)-6-(1H-imidazol-5-yl)oxan-3-yl]thiourea is sourced from PubChem (CID 23583515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).