5-chloro-4-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine

C13H10ClN3S2 — CID 7125749

IUPAC5-chloro-4-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(Nc3nccs3)sc2Cl)cc1
InChIInChI=1S/C13H10ClN3S2/c1-8-2-4-9(5-3-8)10-11(14)19-13(16-10)17-12-15-6-7-18-12/h2-7H,1H3,(H,15,16,17)
InChIKeyWTCIFRVVQYBWKZ-UHFFFAOYSA-N
MW307.83 g/mol
LogP4.97
Rot. Bonds3

About 5-chloro-4-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine

5-chloro-4-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine (PubChem CID 7125749) has the molecular formula C13H10ClN3S2 and a molecular weight of 307.83 g/mol. Its IUPAC name is 5-chloro-4-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-chloro-4-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
PubChem CID7125749
Molecular FormulaC13H10ClN3S2
Molecular Weight307.83 g/mol
Exact Mass307.00
IUPAC Name5-chloro-4-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(Nc3nccs3)sc2Cl)cc1
InChIInChI=1S/C13H10ClN3S2/c1-8-2-4-9(5-3-8)10-11(14)19-13(16-10)17-12-15-6-7-18-12/h2-7H,1H3,(H,15,16,17)
InChIKeyWTCIFRVVQYBWKZ-UHFFFAOYSA-N
XLogP4.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-chloro-4-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine (CID 7125749) is 5-chloro-4-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-chloro-4-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-chloro-4-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine is Cc1ccc(-c2nc(Nc3nccs3)sc2Cl)cc1.
What is the InChIKey of 5-chloro-4-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The InChIKey is WTCIFRVVQYBWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3S2/c1-8-2-4-9(5-3-8)10-11(14)19-13(16-10)17-12-15-6-7-18-12/h2-7H,1H3,(H,15,16,17).
What are the key properties of 5-chloro-4-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
5-chloro-4-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine has a molecular weight of 307.83 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 7125749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).