1-[6-[(2R)-2-methylpiperidin-1-yl]-3-pyridinyl]-3-propan-2-ylthiourea

C15H24N4S — CID 125047318

IUPAC1-[6-[(2R)-2-methylpiperidin-1-yl]-3-pyridinyl]-3-propan-2-ylthiourea
SMILESCC(C)NC(=S)Nc1ccc(N2CCCC[C@H]2C)nc1
InChIInChI=1S/C15H24N4S/c1-11(2)17-15(20)18-13-7-8-14(16-10-13)19-9-5-4-6-12(19)3/h7-8,10-12H,4-6,9H2,1-3H3,(H2,17,18,20)/t12-/m1/s1
InChIKeyWHBWCBVHLURLEC-GFCCVEGCSA-N
MW292.45 g/mol
LogP3.16
Rot. Bonds3

About 1-[6-[(2R)-2-methylpiperidin-1-yl]-3-pyridinyl]-3-propan-2-ylthiourea

1-[6-[(2R)-2-methylpiperidin-1-yl]-3-pyridinyl]-3-propan-2-ylthiourea (PubChem CID 125047318) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-[6-[(2R)-2-methylpiperidin-1-yl]-3-pyridinyl]-3-propan-2-ylthiourea.

Molecular Properties

Compound Name1-[6-[(2R)-2-methylpiperidin-1-yl]-3-pyridinyl]-3-propan-2-ylthiourea
PubChem CID125047318
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name1-[6-[(2R)-2-methylpiperidin-1-yl]-3-pyridinyl]-3-propan-2-ylthiourea
SMILESCC(C)NC(=S)Nc1ccc(N2CCCC[C@H]2C)nc1
InChIInChI=1S/C15H24N4S/c1-11(2)17-15(20)18-13-7-8-14(16-10-13)19-9-5-4-6-12(19)3/h7-8,10-12H,4-6,9H2,1-3H3,(H2,17,18,20)/t12-/m1/s1
InChIKeyWHBWCBVHLURLEC-GFCCVEGCSA-N
XLogP3.16
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.16
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

[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]carbamic acid
CID 170319554
1-[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]-3-propan-2-ylthiourea
CID 133219875
1-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]-3-[(1-phenylcyclohexyl)methyl]thiourea
CID 133149918
4-[[6-(2-methylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 82034790
1-[4-methyl-6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-3-propan-2-ylthiourea
CID 125048132
phenyl N-[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]carbamate
CID 169322862
1-[4-[(2R)-2-methylpiperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-yl]-3-propan-2-ylthiourea
CID 125048666
1-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-3-propan-2-ylthiourea
CID 27519312
1-[6-[(3S)-3-methylpiperidin-1-yl]-3-pyridinyl]-3-[(1R)-1-phenylethyl]thiourea
CID 125045221
1-[4-chloro-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]-3-(1-phenylethyl)thiourea
CID 133197470
1-[4-chloro-6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-3-[(1R)-1-phenylethyl]thiourea
CID 125045747
5-(chloromethyl)-2-(2-methylpiperidin-1-yl)pyridine
CID 61255734

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2R)-2-methylpiperidin-1-yl]-3-pyridinyl]-3-propan-2-ylthiourea?
The IUPAC name of 1-[6-[(2R)-2-methylpiperidin-1-yl]-3-pyridinyl]-3-propan-2-ylthiourea (CID 125047318) is 1-[6-[(2R)-2-methylpiperidin-1-yl]-3-pyridinyl]-3-propan-2-ylthiourea.
What is the SMILES notation for 1-[6-[(2R)-2-methylpiperidin-1-yl]-3-pyridinyl]-3-propan-2-ylthiourea?
The canonical SMILES for 1-[6-[(2R)-2-methylpiperidin-1-yl]-3-pyridinyl]-3-propan-2-ylthiourea is CC(C)NC(=S)Nc1ccc(N2CCCC[C@H]2C)nc1.
What is the InChIKey of 1-[6-[(2R)-2-methylpiperidin-1-yl]-3-pyridinyl]-3-propan-2-ylthiourea?
The InChIKey is WHBWCBVHLURLEC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N4S/c1-11(2)17-15(20)18-13-7-8-14(16-10-13)19-9-5-4-6-12(19)3/h7-8,10-12H,4-6,9H2,1-3H3,(H2,17,18,20)/t12-/m1/s1.
What are the key properties of 1-[6-[(2R)-2-methylpiperidin-1-yl]-3-pyridinyl]-3-propan-2-ylthiourea?
1-[6-[(2R)-2-methylpiperidin-1-yl]-3-pyridinyl]-3-propan-2-ylthiourea has a molecular weight of 292.45 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2R)-2-methylpiperidin-1-yl]-3-pyridinyl]-3-propan-2-ylthiourea is sourced from PubChem (CID 125047318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).