2-[ethyl-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C19H16FN5S2 — CID 175735755

IUPAC2-[ethyl-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nc2sccn2c1N(CC)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C19H16FN5S2/c1-3-14-17(25-9-10-26-18(25)22-14)24(4-2)19-23-16(15(11-21)27-19)12-5-7-13(20)8-6-12/h5-10H,3-4H2,1-2H3
InChIKeyIRVLKSACPWHIBR-UHFFFAOYSA-N
MW397.50 g/mol
LogP5.25
Rot. Bonds5

About 2-[ethyl-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[ethyl-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 175735755) has the molecular formula C19H16FN5S2 and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-[ethyl-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[ethyl-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID175735755
Molecular FormulaC19H16FN5S2
Molecular Weight397.50 g/mol
Exact Mass397.08
IUPAC Name2-[ethyl-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nc2sccn2c1N(CC)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C19H16FN5S2/c1-3-14-17(25-9-10-26-18(25)22-14)24(4-2)19-23-16(15(11-21)27-19)12-5-7-13(20)8-6-12/h5-10H,3-4H2,1-2H3
InChIKeyIRVLKSACPWHIBR-UHFFFAOYSA-N
XLogP5.25
TPSA57.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[ethyl-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 175735755) is 2-[ethyl-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[ethyl-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[ethyl-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nc2sccn2c1N(CC)c1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of 2-[ethyl-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is IRVLKSACPWHIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5S2/c1-3-14-17(25-9-10-26-18(25)22-14)24(4-2)19-23-16(15(11-21)27-19)12-5-7-13(20)8-6-12/h5-10H,3-4H2,1-2H3.
What are the key properties of 2-[ethyl-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-[ethyl-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 397.50 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 175735755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).