1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]thiourea

C19H24N4OS2 — CID 8787113

IUPAC1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]thiourea
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=S)N[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C19H24N4OS2/c1-12-8-6-7-11-15(12)21-19(25)23-22-17(24)16-13(2)20-18(26-16)14-9-4-3-5-10-14/h3-5,9-10,12,15H,6-8,11H2,1-2H3,(H,22,24)(H2,21,23,25)/t12-,15-/m1/s1
InChIKeyXNENMWFBPQJFNC-IUODEOHRSA-N
MW388.56 g/mol
LogP3.81
Rot. Bonds3

About 1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]thiourea

1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]thiourea (PubChem CID 8787113) has the molecular formula C19H24N4OS2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]thiourea.

Molecular Properties

Compound Name1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]thiourea
PubChem CID8787113
Molecular FormulaC19H24N4OS2
Molecular Weight388.56 g/mol
Exact Mass388.14
IUPAC Name1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]thiourea
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=S)N[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C19H24N4OS2/c1-12-8-6-7-11-15(12)21-19(25)23-22-17(24)16-13(2)20-18(26-16)14-9-4-3-5-10-14/h3-5,9-10,12,15H,6-8,11H2,1-2H3,(H,22,24)(H2,21,23,25)/t12-,15-/m1/s1
InChIKeyXNENMWFBPQJFNC-IUODEOHRSA-N
XLogP3.81
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]thiourea with MolForge

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Related Compounds

[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8724477
4-methyl-N-(2-methylpiperidin-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 120573888
1-[(1R,2S)-2-methylcyclohexyl]-3-(pyridine-2-carbonylamino)thiourea
CID 8656598
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-(4-bromophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-phenylthiourea
CID 71518917
4-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936035
N'-(adamantane-1-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 46651893
N'-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439328
N'-(4-bromobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439398
N'-(2-fluorobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 7970391
N'-(2,3-dihydro-1H-indene-5-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9011381

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]thiourea?
The IUPAC name of 1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]thiourea (CID 8787113) is 1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]thiourea.
What is the SMILES notation for 1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]thiourea?
The canonical SMILES for 1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]thiourea is Cc1nc(-c2ccccc2)sc1C(=O)NNC(=S)N[C@@H]1CCCC[C@H]1C.
What is the InChIKey of 1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]thiourea?
The InChIKey is XNENMWFBPQJFNC-IUODEOHRSA-N. The full InChI is InChI=1S/C19H24N4OS2/c1-12-8-6-7-11-15(12)21-19(25)23-22-17(24)16-13(2)20-18(26-16)14-9-4-3-5-10-14/h3-5,9-10,12,15H,6-8,11H2,1-2H3,(H,22,24)(H2,21,23,25)/t12-,15-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]thiourea?
1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]thiourea has a molecular weight of 388.56 g/mol, XLogP of 3.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]thiourea is sourced from PubChem (CID 8787113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).