4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-3-methylbenzonitrile

C14H15N3S — CID 54954001

IUPAC4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-3-methylbenzonitrile
SMILESCCc1nc(Nc2ccc(C#N)cc2C)sc1C
InChIInChI=1S/C14H15N3S/c1-4-12-10(3)18-14(16-12)17-13-6-5-11(8-15)7-9(13)2/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyQOINJHSQUJZVFD-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.94
Rot. Bonds3

About 4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-3-methylbenzonitrile

4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-3-methylbenzonitrile (PubChem CID 54954001) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-3-methylbenzonitrile
PubChem CID54954001
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-3-methylbenzonitrile
SMILESCCc1nc(Nc2ccc(C#N)cc2C)sc1C
InChIInChI=1S/C14H15N3S/c1-4-12-10(3)18-14(16-12)17-13-6-5-11(8-15)7-9(13)2/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyQOINJHSQUJZVFD-UHFFFAOYSA-N
XLogP3.94
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-3-methylbenzonitrile?
The IUPAC name of 4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-3-methylbenzonitrile (CID 54954001) is 4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-3-methylbenzonitrile.
What is the SMILES notation for 4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-3-methylbenzonitrile?
The canonical SMILES for 4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-3-methylbenzonitrile is CCc1nc(Nc2ccc(C#N)cc2C)sc1C.
What is the InChIKey of 4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-3-methylbenzonitrile?
The InChIKey is QOINJHSQUJZVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-4-12-10(3)18-14(16-12)17-13-6-5-11(8-15)7-9(13)2/h5-7H,4H2,1-3H3,(H,16,17).
What are the key properties of 4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-3-methylbenzonitrile?
4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-3-methylbenzonitrile has a molecular weight of 257.36 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-3-methylbenzonitrile is sourced from PubChem (CID 54954001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).