4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine

C18H18N6S — CID 1117217

IUPAC4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine
SMILESCc1nc2ncccn2c1-c1csc(Nc2ccc(N(C)C)cc2)n1
InChIInChI=1S/C18H18N6S/c1-12-16(24-10-4-9-19-17(24)20-12)15-11-25-18(22-15)21-13-5-7-14(8-6-13)23(2)3/h4-11H,1-3H3,(H,21,22)
InChIKeyNJCQFHQYXWXMMF-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.97
Rot. Bonds4

About 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine

4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine (PubChem CID 1117217) has the molecular formula C18H18N6S and a molecular weight of 350.45 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine
PubChem CID1117217
Molecular FormulaC18H18N6S
Molecular Weight350.45 g/mol
Exact Mass350.13
IUPAC Name4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine
SMILESCc1nc2ncccn2c1-c1csc(Nc2ccc(N(C)C)cc2)n1
InChIInChI=1S/C18H18N6S/c1-12-16(24-10-4-9-19-17(24)20-12)15-11-25-18(22-15)21-13-5-7-14(8-6-13)23(2)3/h4-11H,1-3H3,(H,21,22)
InChIKeyNJCQFHQYXWXMMF-UHFFFAOYSA-N
XLogP3.97
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine (CID 1117217) is 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine is Cc1nc2ncccn2c1-c1csc(Nc2ccc(N(C)C)cc2)n1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine?
The InChIKey is NJCQFHQYXWXMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6S/c1-12-16(24-10-4-9-19-17(24)20-12)15-11-25-18(22-15)21-13-5-7-14(8-6-13)23(2)3/h4-11H,1-3H3,(H,21,22).
What are the key properties of 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine has a molecular weight of 350.45 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine is sourced from PubChem (CID 1117217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).