1-(1-cyclopropylcyclopentyl)-3-(3-methyl-2-pyridinyl)thiourea

C15H21N3S — CID 100772033

IUPAC1-(1-cyclopropylcyclopentyl)-3-(3-methyl-2-pyridinyl)thiourea
SMILESCc1cccnc1NC(=S)NC1(C2CC2)CCCC1
InChIInChI=1S/C15H21N3S/c1-11-5-4-10-16-13(11)17-14(19)18-15(12-6-7-12)8-2-3-9-15/h4-5,10,12H,2-3,6-9H2,1H3,(H2,16,17,18,19)
InChIKeyLIHYYFAOYQTCLX-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.40
Rot. Bonds3

About 1-(1-cyclopropylcyclopentyl)-3-(3-methyl-2-pyridinyl)thiourea

1-(1-cyclopropylcyclopentyl)-3-(3-methyl-2-pyridinyl)thiourea (PubChem CID 100772033) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(1-cyclopropylcyclopentyl)-3-(3-methyl-2-pyridinyl)thiourea.

Molecular Properties

Compound Name1-(1-cyclopropylcyclopentyl)-3-(3-methyl-2-pyridinyl)thiourea
PubChem CID100772033
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name1-(1-cyclopropylcyclopentyl)-3-(3-methyl-2-pyridinyl)thiourea
SMILESCc1cccnc1NC(=S)NC1(C2CC2)CCCC1
InChIInChI=1S/C15H21N3S/c1-11-5-4-10-16-13(11)17-14(19)18-15(12-6-7-12)8-2-3-9-15/h4-5,10,12H,2-3,6-9H2,1H3,(H2,16,17,18,19)
InChIKeyLIHYYFAOYQTCLX-UHFFFAOYSA-N
XLogP3.40
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
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-(3-methyl-2-pyridinyl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea
CID 100771973
1-[(3-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095862
1-(3-methyl-2-pyridinyl)-3-phenylthiourea
CID 782010
1-(benzenesulfonyl)-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 23732618
methyl 3-[(1-cyclopropylcyclopentyl)carbamothioylamino]-4-methylbenzoate
CID 100768420
1-(3-methyl-2-pyridinyl)-3-(3-piperidin-1-ylpropyl)thiourea
CID 100621309
3,3-dimethyl-N-(3-methyl-2-pyridinyl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 4728643
1-cyano-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 60717449
2,2-dimethyl-N-[(3-methyl-2-pyridinyl)carbamothioyl]propanamide
CID 17099829
1-butyl-3-(3-methyl-2-pyridinyl)thiourea
CID 19685982
2-methyl-N-(3-methyl-2-pyridinyl)piperidine-2-carboxamide
CID 104596093
1-(3,4-dichlorophenyl)-3-(3-methyl-2-pyridinyl)thiourea
CID 970215

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylcyclopentyl)-3-(3-methyl-2-pyridinyl)thiourea?
The IUPAC name of 1-(1-cyclopropylcyclopentyl)-3-(3-methyl-2-pyridinyl)thiourea (CID 100772033) is 1-(1-cyclopropylcyclopentyl)-3-(3-methyl-2-pyridinyl)thiourea.
What is the SMILES notation for 1-(1-cyclopropylcyclopentyl)-3-(3-methyl-2-pyridinyl)thiourea?
The canonical SMILES for 1-(1-cyclopropylcyclopentyl)-3-(3-methyl-2-pyridinyl)thiourea is Cc1cccnc1NC(=S)NC1(C2CC2)CCCC1.
What is the InChIKey of 1-(1-cyclopropylcyclopentyl)-3-(3-methyl-2-pyridinyl)thiourea?
The InChIKey is LIHYYFAOYQTCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-11-5-4-10-16-13(11)17-14(19)18-15(12-6-7-12)8-2-3-9-15/h4-5,10,12H,2-3,6-9H2,1H3,(H2,16,17,18,19).
What are the key properties of 1-(1-cyclopropylcyclopentyl)-3-(3-methyl-2-pyridinyl)thiourea?
1-(1-cyclopropylcyclopentyl)-3-(3-methyl-2-pyridinyl)thiourea has a molecular weight of 275.42 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylcyclopentyl)-3-(3-methyl-2-pyridinyl)thiourea is sourced from PubChem (CID 100772033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).