1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea

C15H23N3O2S — CID 8625941

IUPAC1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea
SMILESCc1cc(C(=O)NNC(=S)N[C@H]2CCCC[C@H]2C)c(C)o1
InChIInChI=1S/C15H23N3O2S/c1-9-6-4-5-7-13(9)16-15(21)18-17-14(19)12-8-10(2)20-11(12)3/h8-9,13H,4-7H2,1-3H3,(H,17,19)(H2,16,18,21)/t9-,13+/m1/s1
InChIKeyWEBHNURXIDJURW-RNCFNFMXSA-N
MW309.44 g/mol
LogP2.58
Rot. Bonds2

About 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea

1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea (PubChem CID 8625941) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea.

Molecular Properties

Compound Name1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea
PubChem CID8625941
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea
SMILESCc1cc(C(=O)NNC(=S)N[C@H]2CCCC[C@H]2C)c(C)o1
InChIInChI=1S/C15H23N3O2S/c1-9-6-4-5-7-13(9)16-15(21)18-17-14(19)12-8-10(2)20-11(12)3/h8-9,13H,4-7H2,1-3H3,(H,17,19)(H2,16,18,21)/t9-,13+/m1/s1
InChIKeyWEBHNURXIDJURW-RNCFNFMXSA-N
XLogP2.58
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide
CID 7028594
1-[(2-hydroxybenzoyl)amino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8669519
1-[(2-chlorobenzoyl)amino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8657236
1-[(2-bromobenzoyl)amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CID 8657284
1-[(2,6-dimethylquinoline-3-carbonyl)amino]-3-(2-methylcyclohexyl)thiourea
CID 55463918
1-[(5-chloro-2-methoxybenzoyl)amino]-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 8728826
1-[(5-chloro-2-methoxybenzoyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 8728831
1-[(1S,2R)-2-methylcyclohexyl]-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea
CID 8624992
1-[(1R,2S)-2-methylcyclohexyl]-3-(pyridine-2-carbonylamino)thiourea
CID 8656598
1-[(1S,2R)-2-methylcyclohexyl]-3-[(4-propan-2-yloxybenzoyl)amino]thiourea
CID 8742262
1-[(3,4-dimethoxybenzoyl)amino]-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 8625077
1-[(1R,2R)-2-methylcyclohexyl]-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)thiourea
CID 8726820

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea?
The IUPAC name of 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea (CID 8625941) is 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea.
What is the SMILES notation for 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea?
The canonical SMILES for 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea is Cc1cc(C(=O)NNC(=S)N[C@H]2CCCC[C@H]2C)c(C)o1.
What is the InChIKey of 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea?
The InChIKey is WEBHNURXIDJURW-RNCFNFMXSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-9-6-4-5-7-13(9)16-15(21)18-17-14(19)12-8-10(2)20-11(12)3/h8-9,13H,4-7H2,1-3H3,(H,17,19)(H2,16,18,21)/t9-,13+/m1/s1.
What are the key properties of 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea?
1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea has a molecular weight of 309.44 g/mol, XLogP of 2.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea is sourced from PubChem (CID 8625941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).