1-[(2R)-4-phenylbutan-2-yl]-3-(4-thiophen-2-ylpyrimidin-2-yl)thiourea

C19H20N4S2 — CID 100561998

IUPAC1-[(2R)-4-phenylbutan-2-yl]-3-(4-thiophen-2-ylpyrimidin-2-yl)thiourea
SMILESC[C@H](CCc1ccccc1)NC(=S)Nc1nccc(-c2cccs2)n1
InChIInChI=1S/C19H20N4S2/c1-14(9-10-15-6-3-2-4-7-15)21-19(24)23-18-20-12-11-16(22-18)17-8-5-13-25-17/h2-8,11-14H,9-10H2,1H3,(H2,20,21,22,23,24)/t14-/m1/s1
InChIKeyRVTOZJSERSTAOV-CQSZACIVSA-N
MW368.53 g/mol
LogP4.51
Rot. Bonds6

About 1-[(2R)-4-phenylbutan-2-yl]-3-(4-thiophen-2-ylpyrimidin-2-yl)thiourea

1-[(2R)-4-phenylbutan-2-yl]-3-(4-thiophen-2-ylpyrimidin-2-yl)thiourea (PubChem CID 100561998) has the molecular formula C19H20N4S2 and a molecular weight of 368.53 g/mol. Its IUPAC name is 1-[(2R)-4-phenylbutan-2-yl]-3-(4-thiophen-2-ylpyrimidin-2-yl)thiourea.

Molecular Properties

Compound Name1-[(2R)-4-phenylbutan-2-yl]-3-(4-thiophen-2-ylpyrimidin-2-yl)thiourea
PubChem CID100561998
Molecular FormulaC19H20N4S2
Molecular Weight368.53 g/mol
Exact Mass368.11
IUPAC Name1-[(2R)-4-phenylbutan-2-yl]-3-(4-thiophen-2-ylpyrimidin-2-yl)thiourea
SMILESC[C@H](CCc1ccccc1)NC(=S)Nc1nccc(-c2cccs2)n1
InChIInChI=1S/C19H20N4S2/c1-14(9-10-15-6-3-2-4-7-15)21-19(24)23-18-20-12-11-16(22-18)17-8-5-13-25-17/h2-8,11-14H,9-10H2,1H3,(H2,20,21,22,23,24)/t14-/m1/s1
InChIKeyRVTOZJSERSTAOV-CQSZACIVSA-N
XLogP4.51
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2R)-4-phenylbutan-2-yl]-3-(4-thiophen-2-ylpyrimidin-2-yl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-pentan-2-yl]-3-(4-thiophen-2-ylpyrimidin-2-yl)thiourea
CID 100561958
1-(4-methylpyrimidin-2-yl)-3-[(2R)-4-phenylbutan-2-yl]thiourea
CID 100559549
(3S)-3-(3-methoxyphenyl)-3-[(4-thiophen-2-ylpyrimidin-2-yl)carbamothioylamino]propanoic acid
CID 100569952
N-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3576119
1-(6-methyl-2-pyridinyl)-3-(4-phenylbutan-2-yl)thiourea
CID 133215865
N-(4-phenylbutan-2-yl)-4-(4-phenylphenyl)pyrimidin-2-amine
CID 171989250
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7249590
1-(4-methoxyphenyl)-3-(4-phenylbutan-2-yl)thiourea
CID 19651816
4-methyl-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide
CID 3698321
1-(2-fluorophenyl)-3-[(2S)-4-phenylbutan-2-yl]thiourea
CID 8668898
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] thiophene-2-carboxylate
CID 2355591
1-cyclopropyl-3-(4-phenylbutan-2-yl)thiourea
CID 19651854

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-phenylbutan-2-yl]-3-(4-thiophen-2-ylpyrimidin-2-yl)thiourea?
The IUPAC name of 1-[(2R)-4-phenylbutan-2-yl]-3-(4-thiophen-2-ylpyrimidin-2-yl)thiourea (CID 100561998) is 1-[(2R)-4-phenylbutan-2-yl]-3-(4-thiophen-2-ylpyrimidin-2-yl)thiourea.
What is the SMILES notation for 1-[(2R)-4-phenylbutan-2-yl]-3-(4-thiophen-2-ylpyrimidin-2-yl)thiourea?
The canonical SMILES for 1-[(2R)-4-phenylbutan-2-yl]-3-(4-thiophen-2-ylpyrimidin-2-yl)thiourea is C[C@H](CCc1ccccc1)NC(=S)Nc1nccc(-c2cccs2)n1.
What is the InChIKey of 1-[(2R)-4-phenylbutan-2-yl]-3-(4-thiophen-2-ylpyrimidin-2-yl)thiourea?
The InChIKey is RVTOZJSERSTAOV-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N4S2/c1-14(9-10-15-6-3-2-4-7-15)21-19(24)23-18-20-12-11-16(22-18)17-8-5-13-25-17/h2-8,11-14H,9-10H2,1H3,(H2,20,21,22,23,24)/t14-/m1/s1.
What are the key properties of 1-[(2R)-4-phenylbutan-2-yl]-3-(4-thiophen-2-ylpyrimidin-2-yl)thiourea?
1-[(2R)-4-phenylbutan-2-yl]-3-(4-thiophen-2-ylpyrimidin-2-yl)thiourea has a molecular weight of 368.53 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-phenylbutan-2-yl]-3-(4-thiophen-2-ylpyrimidin-2-yl)thiourea is sourced from PubChem (CID 100561998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).