1-ethyl-3-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]thiourea

C17H16N4S2 — CID 108784263

IUPAC1-ethyl-3-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]thiourea
SMILESCCNC(=S)Nc1cccc(-c2csc(-c3cccnc3)n2)c1
InChIInChI=1S/C17H16N4S2/c1-2-19-17(22)20-14-7-3-5-12(9-14)15-11-23-16(21-15)13-6-4-8-18-10-13/h3-11H,2H2,1H3,(H2,19,20,22)
InChIKeyOCASNYCAJJFQMJ-UHFFFAOYSA-N
MW340.48 g/mol
LogP4.18
Rot. Bonds4

About 1-ethyl-3-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]thiourea

1-ethyl-3-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]thiourea (PubChem CID 108784263) has the molecular formula C17H16N4S2 and a molecular weight of 340.48 g/mol. Its IUPAC name is 1-ethyl-3-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]thiourea.

Molecular Properties

Compound Name1-ethyl-3-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]thiourea
PubChem CID108784263
Molecular FormulaC17H16N4S2
Molecular Weight340.48 g/mol
Exact Mass340.08
IUPAC Name1-ethyl-3-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]thiourea
SMILESCCNC(=S)Nc1cccc(-c2csc(-c3cccnc3)n2)c1
InChIInChI=1S/C17H16N4S2/c1-2-19-17(22)20-14-7-3-5-12(9-14)15-11-23-16(21-15)13-6-4-8-18-10-13/h3-11H,2H2,1H3,(H2,19,20,22)
InChIKeyOCASNYCAJJFQMJ-UHFFFAOYSA-N
XLogP4.18
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2,3-diphenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 108770511
2,3-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]quinoxaline-6-carboxamide
CID 108770555
(E)-3-(4-ethoxyphenyl)-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 108770515
[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152435
4-(4-ethylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 849786
2,3,4-trifluoro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748572
[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)phenyl]thiourea
CID 169358392
2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748693
N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-carboxamide
CID 108770678
4-methyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784245
6-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108748545
5-benzyl-2,6-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 108779811

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]thiourea?
The IUPAC name of 1-ethyl-3-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]thiourea (CID 108784263) is 1-ethyl-3-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]thiourea.
What is the SMILES notation for 1-ethyl-3-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]thiourea?
The canonical SMILES for 1-ethyl-3-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]thiourea is CCNC(=S)Nc1cccc(-c2csc(-c3cccnc3)n2)c1.
What is the InChIKey of 1-ethyl-3-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]thiourea?
The InChIKey is OCASNYCAJJFQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4S2/c1-2-19-17(22)20-14-7-3-5-12(9-14)15-11-23-16(21-15)13-6-4-8-18-10-13/h3-11H,2H2,1H3,(H2,19,20,22).
What are the key properties of 1-ethyl-3-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]thiourea?
1-ethyl-3-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]thiourea has a molecular weight of 340.48 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]thiourea is sourced from PubChem (CID 108784263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).