1-[(2R)-butan-2-yl]-3-(6-methoxy-3-pyridinyl)thiourea

C11H17N3OS — CID 94841351

IUPAC1-[(2R)-butan-2-yl]-3-(6-methoxy-3-pyridinyl)thiourea
SMILESCC[C@@H](C)NC(=S)Nc1ccc(OC)nc1
InChIInChI=1S/C11H17N3OS/c1-4-8(2)13-11(16)14-9-5-6-10(15-3)12-7-9/h5-8H,4H2,1-3H3,(H2,13,14,16)/t8-/m1/s1
InChIKeyYZJJUKHZWBUBHQ-MRVPVSSYSA-N
MW239.34 g/mol
LogP2.18
Rot. Bonds4

About 1-[(2R)-butan-2-yl]-3-(6-methoxy-3-pyridinyl)thiourea

1-[(2R)-butan-2-yl]-3-(6-methoxy-3-pyridinyl)thiourea (PubChem CID 94841351) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-3-(6-methoxy-3-pyridinyl)thiourea.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-3-(6-methoxy-3-pyridinyl)thiourea
PubChem CID94841351
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-[(2R)-butan-2-yl]-3-(6-methoxy-3-pyridinyl)thiourea
SMILESCC[C@@H](C)NC(=S)Nc1ccc(OC)nc1
InChIInChI=1S/C11H17N3OS/c1-4-8(2)13-11(16)14-9-5-6-10(15-3)12-7-9/h5-8H,4H2,1-3H3,(H2,13,14,16)/t8-/m1/s1
InChIKeyYZJJUKHZWBUBHQ-MRVPVSSYSA-N
XLogP2.18
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.18
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-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-(6-methoxy-3-pyridinyl)thiourea
CID 100580772
N-butan-2-yl-2-[(6-methoxy-3-pyridinyl)amino]acetamide
CID 43199045
1-(6-methoxy-3-pyridinyl)-3-propylthiourea
CID 42992989
1-(6-methoxy-3-pyridinyl)-3-(3-methyl-1-phenylbutyl)thiourea
CID 133215604
(6-methoxy-3-pyridinyl)thiourea
CID 43148919
1-[(2R)-butan-2-yl]-3-(4-methylphenyl)thiourea
CID 8619656
N-[4-(butan-2-ylcarbamothioylamino)phenyl]acetamide
CID 43427098
1-butan-2-yl-3-(4-ethylphenyl)thiourea
CID 19652039
(2S)-2-amino-N-(6-methoxy-3-pyridinyl)butanamide
CID 79025042
1-(6-methoxy-3-pyridinyl)-3-[(3-methylphenyl)-phenylmethyl]thiourea
CID 133216330
1-[(2S)-butan-2-yl]-3-(4-phenoxyphenyl)thiourea
CID 7342647
1-[(2R)-butan-2-yl]-3-(4-phenoxyphenyl)thiourea
CID 7342646

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-3-(6-methoxy-3-pyridinyl)thiourea?
The IUPAC name of 1-[(2R)-butan-2-yl]-3-(6-methoxy-3-pyridinyl)thiourea (CID 94841351) is 1-[(2R)-butan-2-yl]-3-(6-methoxy-3-pyridinyl)thiourea.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-3-(6-methoxy-3-pyridinyl)thiourea?
The canonical SMILES for 1-[(2R)-butan-2-yl]-3-(6-methoxy-3-pyridinyl)thiourea is CC[C@@H](C)NC(=S)Nc1ccc(OC)nc1.
What is the InChIKey of 1-[(2R)-butan-2-yl]-3-(6-methoxy-3-pyridinyl)thiourea?
The InChIKey is YZJJUKHZWBUBHQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-4-8(2)13-11(16)14-9-5-6-10(15-3)12-7-9/h5-8H,4H2,1-3H3,(H2,13,14,16)/t8-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-3-(6-methoxy-3-pyridinyl)thiourea?
1-[(2R)-butan-2-yl]-3-(6-methoxy-3-pyridinyl)thiourea has a molecular weight of 239.34 g/mol, XLogP of 2.18, 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-(6-methoxy-3-pyridinyl)thiourea is sourced from PubChem (CID 94841351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).