1-acridin-3-yl-3-cyclopropylthiourea

C17H15N3S — CID 126196525

IUPAC1-acridin-3-yl-3-cyclopropylthiourea
SMILESS=C(Nc1ccc2cc3ccccc3nc2c1)NC1CC1
InChIInChI=1S/C17H15N3S/c21-17(18-13-7-8-13)19-14-6-5-12-9-11-3-1-2-4-15(11)20-16(12)10-14/h1-6,9-10,13H,7-8H2,(H2,18,19,21)
InChIKeyRMKJWPWJGPLKSB-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.84
Rot. Bonds2

About 1-acridin-3-yl-3-cyclopropylthiourea

1-acridin-3-yl-3-cyclopropylthiourea (PubChem CID 126196525) has the molecular formula C17H15N3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-acridin-3-yl-3-cyclopropylthiourea.

Molecular Properties

Compound Name1-acridin-3-yl-3-cyclopropylthiourea
PubChem CID126196525
Molecular FormulaC17H15N3S
Molecular Weight293.39 g/mol
Exact Mass293.10
IUPAC Name1-acridin-3-yl-3-cyclopropylthiourea
SMILESS=C(Nc1ccc2cc3ccccc3nc2c1)NC1CC1
InChIInChI=1S/C17H15N3S/c21-17(18-13-7-8-13)19-14-6-5-12-9-11-3-1-2-4-15(11)20-16(12)10-14/h1-6,9-10,13H,7-8H2,(H2,18,19,21)
InChIKeyRMKJWPWJGPLKSB-UHFFFAOYSA-N
XLogP3.84
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-acridin-3-yl-3-propan-2-ylthiourea
CID 126195669
1-acridin-3-yl-3-[4-(dimethylamino)phenyl]thiourea
CID 126197076
1-(2,1-benzoxazol-6-yl)-3-cyclopropylthiourea
CID 126210908
1-cyclopropyl-3-(2,3-dimethylquinoxalin-6-yl)thiourea
CID 798123
3-acridin-3-yl-1-methyl-1-phenylthiourea
CID 3660243
1-cyclopropyl-3-(4-phenylphenyl)thiourea
CID 7942442
1-acridin-9-yl-3-cyclohexylthiourea
CID 11056786
1-cyclohexyl-3-(3-phenylphenyl)thiourea
CID 57392119
1-cyclopropyl-3-(3-phenoxyphenyl)thiourea
CID 115570462
1-cyclopropyl-3-(3-iodo-4-methylphenyl)thiourea
CID 8679311
1-cycloheptyl-3-phenylthiourea
CID 4085620
1-cyclopentyl-3-pyridin-4-ylthiourea
CID 19655611

Frequently Asked Questions

What is the IUPAC name of 1-acridin-3-yl-3-cyclopropylthiourea?
The IUPAC name of 1-acridin-3-yl-3-cyclopropylthiourea (CID 126196525) is 1-acridin-3-yl-3-cyclopropylthiourea.
What is the SMILES notation for 1-acridin-3-yl-3-cyclopropylthiourea?
The canonical SMILES for 1-acridin-3-yl-3-cyclopropylthiourea is S=C(Nc1ccc2cc3ccccc3nc2c1)NC1CC1.
What is the InChIKey of 1-acridin-3-yl-3-cyclopropylthiourea?
The InChIKey is RMKJWPWJGPLKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3S/c21-17(18-13-7-8-13)19-14-6-5-12-9-11-3-1-2-4-15(11)20-16(12)10-14/h1-6,9-10,13H,7-8H2,(H2,18,19,21).
What are the key properties of 1-acridin-3-yl-3-cyclopropylthiourea?
1-acridin-3-yl-3-cyclopropylthiourea has a molecular weight of 293.39 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acridin-3-yl-3-cyclopropylthiourea is sourced from PubChem (CID 126196525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).