(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)thiourea

C8H15N3S — CID 144905345

IUPAC(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)thiourea
SMILESCC1=C(NC(N)=S)CCN(C)C1
InChIInChI=1S/C8H15N3S/c1-6-5-11(2)4-3-7(6)10-8(9)12/h3-5H2,1-2H3,(H3,9,10,12)
InChIKeyJPTULAQOPXSEJO-UHFFFAOYSA-N
MW185.30 g/mol
LogP0.43
Rot. Bonds1

About (1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)thiourea

(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)thiourea (PubChem CID 144905345) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is (1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)thiourea.

Molecular Properties

Compound Name(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)thiourea
PubChem CID144905345
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)thiourea
SMILESCC1=C(NC(N)=S)CCN(C)C1
InChIInChI=1S/C8H15N3S/c1-6-5-11(2)4-3-7(6)10-8(9)12/h3-5H2,1-2H3,(H3,9,10,12)
InChIKeyJPTULAQOPXSEJO-UHFFFAOYSA-N
XLogP0.43
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4,4,5,6-pentamethyl-1H-pyrimidine-2-thione
CID 54268935
5-Ethyl-4-(ethylamino)-3,6-dimethyl-1,4-dihydropyrimidine-2-thione
CID 163986956

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)thiourea?
The IUPAC name of (1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)thiourea (CID 144905345) is (1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)thiourea.
What is the SMILES notation for (1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)thiourea?
The canonical SMILES for (1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)thiourea is CC1=C(NC(N)=S)CCN(C)C1.
What is the InChIKey of (1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)thiourea?
The InChIKey is JPTULAQOPXSEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-6-5-11(2)4-3-7(6)10-8(9)12/h3-5H2,1-2H3,(H3,9,10,12).
What are the key properties of (1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)thiourea?
(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)thiourea has a molecular weight of 185.30 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)thiourea is sourced from PubChem (CID 144905345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).