1-(1-methylcyclohexyl)-3-(4-methyl-2-pyridinyl)thiourea

C14H21N3S — CID 100772366

IUPAC1-(1-methylcyclohexyl)-3-(4-methyl-2-pyridinyl)thiourea
SMILESCc1ccnc(NC(=S)NC2(C)CCCCC2)c1
InChIInChI=1S/C14H21N3S/c1-11-6-9-15-12(10-11)16-13(18)17-14(2)7-4-3-5-8-14/h6,9-10H,3-5,7-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyNXUVHAYKRYUEPI-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.40
Rot. Bonds2

About 1-(1-methylcyclohexyl)-3-(4-methyl-2-pyridinyl)thiourea

1-(1-methylcyclohexyl)-3-(4-methyl-2-pyridinyl)thiourea (PubChem CID 100772366) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-(1-methylcyclohexyl)-3-(4-methyl-2-pyridinyl)thiourea.

Molecular Properties

Compound Name1-(1-methylcyclohexyl)-3-(4-methyl-2-pyridinyl)thiourea
PubChem CID100772366
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name1-(1-methylcyclohexyl)-3-(4-methyl-2-pyridinyl)thiourea
SMILESCc1ccnc(NC(=S)NC2(C)CCCCC2)c1
InChIInChI=1S/C14H21N3S/c1-11-6-9-15-12(10-11)16-13(18)17-14(2)7-4-3-5-8-14/h6,9-10H,3-5,7-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyNXUVHAYKRYUEPI-UHFFFAOYSA-N
XLogP3.40
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.40
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

1-amino-3-(4-methyl-2-pyridinyl)thiourea
CID 55279966
1-butan-2-yl-3-(4-methyl-2-pyridinyl)thiourea
CID 127064169
1-(4-methyl-2-pyridinyl)-3-(3-pyrrolidin-1-ylpropyl)thiourea
CID 100631270
1-(4-methyl-2-pyridinyl)-3-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]thiourea
CID 100716083
2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-2-pyridinyl)acetamide
CID 104677502
2-(1-aminocyclopentyl)-N-(4-methyl-2-pyridinyl)acetamide
CID 64684360
(4-methyl-2-pyridinyl)thiourea;molecular nitrogen
CID 170549235
1-(2-cyclohexylsulfanylethyl)-3-(4-methyl-2-pyridinyl)thiourea
CID 100603174
N-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide
CID 4653745
1-(4-bromophenyl)-3-(1-methylcyclohexyl)thiourea
CID 100765991
1-(5-chloro-2-methylphenyl)-3-(4-methyl-2-pyridinyl)thiourea
CID 19686024
4-methyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 63121370

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexyl)-3-(4-methyl-2-pyridinyl)thiourea?
The IUPAC name of 1-(1-methylcyclohexyl)-3-(4-methyl-2-pyridinyl)thiourea (CID 100772366) is 1-(1-methylcyclohexyl)-3-(4-methyl-2-pyridinyl)thiourea.
What is the SMILES notation for 1-(1-methylcyclohexyl)-3-(4-methyl-2-pyridinyl)thiourea?
The canonical SMILES for 1-(1-methylcyclohexyl)-3-(4-methyl-2-pyridinyl)thiourea is Cc1ccnc(NC(=S)NC2(C)CCCCC2)c1.
What is the InChIKey of 1-(1-methylcyclohexyl)-3-(4-methyl-2-pyridinyl)thiourea?
The InChIKey is NXUVHAYKRYUEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-11-6-9-15-12(10-11)16-13(18)17-14(2)7-4-3-5-8-14/h6,9-10H,3-5,7-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 1-(1-methylcyclohexyl)-3-(4-methyl-2-pyridinyl)thiourea?
1-(1-methylcyclohexyl)-3-(4-methyl-2-pyridinyl)thiourea has a molecular weight of 263.41 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexyl)-3-(4-methyl-2-pyridinyl)thiourea is sourced from PubChem (CID 100772366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).