1-cyclopropyl-3-(4-methyl-3-pyridinyl)thiourea

C10H13N3S — CID 115612151

IUPAC1-cyclopropyl-3-(4-methyl-3-pyridinyl)thiourea
SMILESCc1ccncc1NC(=S)NC1CC1
InChIInChI=1S/C10H13N3S/c1-7-4-5-11-6-9(7)13-10(14)12-8-2-3-8/h4-6,8H,2-3H2,1H3,(H2,12,13,14)
InChIKeyXGNJIGCDNYEEDW-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.84
Rot. Bonds2

About 1-cyclopropyl-3-(4-methyl-3-pyridinyl)thiourea

1-cyclopropyl-3-(4-methyl-3-pyridinyl)thiourea (PubChem CID 115612151) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-methyl-3-pyridinyl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-methyl-3-pyridinyl)thiourea
PubChem CID115612151
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name1-cyclopropyl-3-(4-methyl-3-pyridinyl)thiourea
SMILESCc1ccncc1NC(=S)NC1CC1
InChIInChI=1S/C10H13N3S/c1-7-4-5-11-6-9(7)13-10(14)12-8-2-3-8/h4-6,8H,2-3H2,1H3,(H2,12,13,14)
InChIKeyXGNJIGCDNYEEDW-UHFFFAOYSA-N
XLogP1.84
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.84
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-cyclopropyl-3-isoquinolin-5-ylthiourea
CID 27012724
1-cyclododecyl-3-(2-methylphenyl)thiourea
CID 19652468
3-methyl-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 102779438
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
tert-butyl N-[4-[(4-methyl-3-pyridinyl)amino]cyclohexyl]carbamate
CID 103715526
1-cyclopentyl-3-pyridin-4-ylthiourea
CID 19655611
1-(3-methoxypropyl)-3-(4-methyl-3-pyridinyl)thiourea
CID 115612153
1-cyclopentyl-3-[(3-methyl-4-pyridinyl)methyl]thiourea
CID 114699391
1-(1-methoxypropan-2-yl)-3-(4-methyl-3-pyridinyl)thiourea
CID 115612152
1-(2,4-dimethylphenyl)-3-(4-hydroxycyclohexyl)thiourea
CID 23932184
1-(4-chloro-2-methylphenyl)-3-cyclohexylthiourea
CID 800427
1-amino-2-cyclopropyl-3-(4-methyl-3-pyridinyl)guanidine
CID 116515203

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-methyl-3-pyridinyl)thiourea?
The IUPAC name of 1-cyclopropyl-3-(4-methyl-3-pyridinyl)thiourea (CID 115612151) is 1-cyclopropyl-3-(4-methyl-3-pyridinyl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(4-methyl-3-pyridinyl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(4-methyl-3-pyridinyl)thiourea is Cc1ccncc1NC(=S)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(4-methyl-3-pyridinyl)thiourea?
The InChIKey is XGNJIGCDNYEEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-7-4-5-11-6-9(7)13-10(14)12-8-2-3-8/h4-6,8H,2-3H2,1H3,(H2,12,13,14).
What are the key properties of 1-cyclopropyl-3-(4-methyl-3-pyridinyl)thiourea?
1-cyclopropyl-3-(4-methyl-3-pyridinyl)thiourea has a molecular weight of 207.30 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-methyl-3-pyridinyl)thiourea is sourced from PubChem (CID 115612151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).