6-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile

C17H20N8S — CID 163346315

IUPAC6-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile
SMILESCc1cc(N(C)C)nc(N2CCN(c3nc4sccn4c3C#N)CC2)n1
InChIInChI=1S/C17H20N8S/c1-12-10-14(22(2)3)20-16(19-12)24-6-4-23(5-7-24)15-13(11-18)25-8-9-26-17(25)21-15/h8-10H,4-7H2,1-3H3
InChIKeyOZEAMASGZBNMQQ-UHFFFAOYSA-N
MW368.47 g/mol
LogP1.76
Rot. Bonds3

About 6-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile

6-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile (PubChem CID 163346315) has the molecular formula C17H20N8S and a molecular weight of 368.47 g/mol. Its IUPAC name is 6-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile.

Molecular Properties

Compound Name6-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile
PubChem CID163346315
Molecular FormulaC17H20N8S
Molecular Weight368.47 g/mol
Exact Mass368.15
IUPAC Name6-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile
SMILESCc1cc(N(C)C)nc(N2CCN(c3nc4sccn4c3C#N)CC2)n1
InChIInChI=1S/C17H20N8S/c1-12-10-14(22(2)3)20-16(19-12)24-6-4-23(5-7-24)15-13(11-18)25-8-9-26-17(25)21-15/h8-10H,4-7H2,1-3H3
InChIKeyOZEAMASGZBNMQQ-UHFFFAOYSA-N
XLogP1.76
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile?
The IUPAC name of 6-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile (CID 163346315) is 6-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile.
What is the SMILES notation for 6-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile?
The canonical SMILES for 6-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile is Cc1cc(N(C)C)nc(N2CCN(c3nc4sccn4c3C#N)CC2)n1.
What is the InChIKey of 6-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile?
The InChIKey is OZEAMASGZBNMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8S/c1-12-10-14(22(2)3)20-16(19-12)24-6-4-23(5-7-24)15-13(11-18)25-8-9-26-17(25)21-15/h8-10H,4-7H2,1-3H3.
What are the key properties of 6-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile?
6-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile has a molecular weight of 368.47 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile is sourced from PubChem (CID 163346315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).