1-[(2R)-butan-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea

C15H19N3S2 — CID 100560500

IUPAC1-[(2R)-butan-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
SMILESCC[C@@H](C)NC(=S)Nc1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C15H19N3S2/c1-4-10(2)16-15(19)18-13-7-5-6-12(8-13)14-9-20-11(3)17-14/h5-10H,4H2,1-3H3,(H2,16,18,19)/t10-/m1/s1
InChIKeyDHUFJTWGAWQFBK-SNVBAGLBSA-N
MW305.47 g/mol
LogP4.20
Rot. Bonds4

About 1-[(2R)-butan-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea

1-[(2R)-butan-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea (PubChem CID 100560500) has the molecular formula C15H19N3S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
PubChem CID100560500
Molecular FormulaC15H19N3S2
Molecular Weight305.47 g/mol
Exact Mass305.10
IUPAC Name1-[(2R)-butan-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
SMILESCC[C@@H](C)NC(=S)Nc1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C15H19N3S2/c1-4-10(2)16-15(19)18-13-7-5-6-12(8-13)14-9-20-11(3)17-14/h5-10H,4H2,1-3H3,(H2,16,18,19)/t10-/m1/s1
InChIKeyDHUFJTWGAWQFBK-SNVBAGLBSA-N
XLogP4.20
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 54.20
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-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 100560858
1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 100560847
1-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 100560521
2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 43699209
3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 54924319
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
(2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366238
N-(5-methylheptan-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 43714309
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 100560652
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
(2S)-2-amino-4-methylsulfanyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
CID 119270939
N-heptan-3-yl-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 63945706

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea?
The IUPAC name of 1-[(2R)-butan-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea (CID 100560500) is 1-[(2R)-butan-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea?
The canonical SMILES for 1-[(2R)-butan-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea is CC[C@@H](C)NC(=S)Nc1cccc(-c2csc(C)n2)c1.
What is the InChIKey of 1-[(2R)-butan-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea?
The InChIKey is DHUFJTWGAWQFBK-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19N3S2/c1-4-10(2)16-15(19)18-13-7-5-6-12(8-13)14-9-20-11(3)17-14/h5-10H,4H2,1-3H3,(H2,16,18,19)/t10-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea?
1-[(2R)-butan-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea has a molecular weight of 305.47 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea is sourced from PubChem (CID 100560500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).