1-cyclopropyl-3-(2,3-dimethylquinoxalin-6-yl)thiourea

C14H16N4S — CID 798123

IUPAC1-cyclopropyl-3-(2,3-dimethylquinoxalin-6-yl)thiourea
SMILESCc1nc2ccc(NC(=S)NC3CC3)cc2nc1C
InChIInChI=1S/C14H16N4S/c1-8-9(2)16-13-7-11(5-6-12(13)15-8)18-14(19)17-10-3-4-10/h5-7,10H,3-4H2,1-2H3,(H2,17,18,19)
InChIKeyRBTHVEPZARSCAY-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.70
Rot. Bonds2

About 1-cyclopropyl-3-(2,3-dimethylquinoxalin-6-yl)thiourea

1-cyclopropyl-3-(2,3-dimethylquinoxalin-6-yl)thiourea (PubChem CID 798123) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,3-dimethylquinoxalin-6-yl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,3-dimethylquinoxalin-6-yl)thiourea
PubChem CID798123
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name1-cyclopropyl-3-(2,3-dimethylquinoxalin-6-yl)thiourea
SMILESCc1nc2ccc(NC(=S)NC3CC3)cc2nc1C
InChIInChI=1S/C14H16N4S/c1-8-9(2)16-13-7-11(5-6-12(13)15-8)18-14(19)17-10-3-4-10/h5-7,10H,3-4H2,1-2H3,(H2,17,18,19)
InChIKeyRBTHVEPZARSCAY-UHFFFAOYSA-N
XLogP2.70
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.70
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

1-acridin-3-yl-3-cyclopropylthiourea
CID 126196525
1-(2,1-benzoxazol-6-yl)-3-cyclopropylthiourea
CID 126210908
1-cyclopropyl-3-(3-iodo-4-methylphenyl)thiourea
CID 8679311
N-(2,3-dimethylquinoxalin-6-yl)-4-methylpiperidine-1-carbothioamide
CID 797648
1-cyclopropyl-3-(4-methyl-3-nitrophenyl)thiourea
CID 7942249
N-(2,3-dimethylquinoxalin-6-yl)propanamide
CID 110723790
1-cycloheptyl-3-(3-methylphenyl)thiourea
CID 8627954
1-cyclopropyl-3-(4-phenylphenyl)thiourea
CID 7942442
1-cyclopentyl-3-pyridin-4-ylthiourea
CID 19655611
1-cyclopropyl-3-(1,3-dioxoisoindol-5-yl)thiourea
CID 116507247
1-(2-methyl-1,3-benzothiazol-6-yl)-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 8659202
1-(1,2-benzothiazol-5-yl)-3-cyclopentylthiourea
CID 100558761

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,3-dimethylquinoxalin-6-yl)thiourea?
The IUPAC name of 1-cyclopropyl-3-(2,3-dimethylquinoxalin-6-yl)thiourea (CID 798123) is 1-cyclopropyl-3-(2,3-dimethylquinoxalin-6-yl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(2,3-dimethylquinoxalin-6-yl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(2,3-dimethylquinoxalin-6-yl)thiourea is Cc1nc2ccc(NC(=S)NC3CC3)cc2nc1C.
What is the InChIKey of 1-cyclopropyl-3-(2,3-dimethylquinoxalin-6-yl)thiourea?
The InChIKey is RBTHVEPZARSCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-8-9(2)16-13-7-11(5-6-12(13)15-8)18-14(19)17-10-3-4-10/h5-7,10H,3-4H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-cyclopropyl-3-(2,3-dimethylquinoxalin-6-yl)thiourea?
1-cyclopropyl-3-(2,3-dimethylquinoxalin-6-yl)thiourea has a molecular weight of 272.38 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,3-dimethylquinoxalin-6-yl)thiourea is sourced from PubChem (CID 798123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).