1-N-[4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine

C20H21N5S — CID 57490502

IUPAC1-N-[4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCc1nc2c(C)cccn2c1-c1csc(Nc2ccc(N(C)C)cc2)n1
InChIInChI=1S/C20H21N5S/c1-13-6-5-11-25-18(14(2)21-19(13)25)17-12-26-20(23-17)22-15-7-9-16(10-8-15)24(3)4/h5-12H,1-4H3,(H,22,23)
InChIKeyQIPZVKFECSFWAZ-UHFFFAOYSA-N
MW363.49 g/mol
LogP4.88
Rot. Bonds4

About 1-N-[4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-[4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 57490502) has the molecular formula C20H21N5S and a molecular weight of 363.49 g/mol. Its IUPAC name is 1-N-[4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID57490502
Molecular FormulaC20H21N5S
Molecular Weight363.49 g/mol
Exact Mass363.15
IUPAC Name1-N-[4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCc1nc2c(C)cccn2c1-c1csc(Nc2ccc(N(C)C)cc2)n1
InChIInChI=1S/C20H21N5S/c1-13-6-5-11-25-18(14(2)21-19(13)25)17-12-26-20(23-17)22-15-7-9-16(10-8-15)24(3)4/h5-12H,1-4H3,(H,22,23)
InChIKeyQIPZVKFECSFWAZ-UHFFFAOYSA-N
XLogP4.88
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 57490502) is 1-N-[4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine is Cc1nc2c(C)cccn2c1-c1csc(Nc2ccc(N(C)C)cc2)n1.
What is the InChIKey of 1-N-[4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is QIPZVKFECSFWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5S/c1-13-6-5-11-25-18(14(2)21-19(13)25)17-12-26-20(23-17)22-15-7-9-16(10-8-15)24(3)4/h5-12H,1-4H3,(H,22,23).
What are the key properties of 1-N-[4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-[4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 363.49 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 57490502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).