4-[2-[(dimethylamino)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine

C18H17FN6S — CID 44579299

IUPAC4-[2-[(dimethylamino)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
SMILESCN(C)Cc1cn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2s1
InChIInChI=1S/C18H17FN6S/c1-24(2)9-13-10-25-16(14-7-8-21-17(20)22-14)15(23-18(25)26-13)11-3-5-12(19)6-4-11/h3-8,10H,9H2,1-2H3,(H2,20,21,22)
InChIKeyQWGQZAYXSZTUOX-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.30
Rot. Bonds4

About 4-[2-[(dimethylamino)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine

4-[2-[(dimethylamino)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine (PubChem CID 44579299) has the molecular formula C18H17FN6S and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[2-[(dimethylamino)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[(dimethylamino)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
PubChem CID44579299
Molecular FormulaC18H17FN6S
Molecular Weight368.44 g/mol
Exact Mass368.12
IUPAC Name4-[2-[(dimethylamino)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
SMILESCN(C)Cc1cn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2s1
InChIInChI=1S/C18H17FN6S/c1-24(2)9-13-10-25-16(14-7-8-21-17(20)22-14)15(23-18(25)26-13)11-3-5-12(19)6-4-11/h3-8,10H,9H2,1-2H3,(H2,20,21,22)
InChIKeyQWGQZAYXSZTUOX-UHFFFAOYSA-N
XLogP3.30
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(dimethylamino)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-[(dimethylamino)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine (CID 44579299) is 4-[2-[(dimethylamino)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-[(dimethylamino)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-[(dimethylamino)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine is CN(C)Cc1cn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2s1.
What is the InChIKey of 4-[2-[(dimethylamino)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is QWGQZAYXSZTUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6S/c1-24(2)9-13-10-25-16(14-7-8-21-17(20)22-14)15(23-18(25)26-13)11-3-5-12(19)6-4-11/h3-8,10H,9H2,1-2H3,(H2,20,21,22).
What are the key properties of 4-[2-[(dimethylamino)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine?
4-[2-[(dimethylamino)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 368.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(dimethylamino)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 44579299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).