[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone

C16H21N5OS — CID 70772710

IUPAC[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
SMILESCNc1nc(C(=O)N2CCN(c3cc(C)nc(C)c3)CC2)cs1
InChIInChI=1S/C16H21N5OS/c1-11-8-13(9-12(2)18-11)20-4-6-21(7-5-20)15(22)14-10-23-16(17-3)19-14/h8-10H,4-7H2,1-3H3,(H,17,19)
InChIKeyVKQSFCXAJLFOJW-UHFFFAOYSA-N
MW331.45 g/mol
LogP2.16
Rot. Bonds3

About [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone

[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone (PubChem CID 70772710) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
PubChem CID70772710
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
SMILESCNc1nc(C(=O)N2CCN(c3cc(C)nc(C)c3)CC2)cs1
InChIInChI=1S/C16H21N5OS/c1-11-8-13(9-12(2)18-11)20-4-6-21(7-5-20)15(22)14-10-23-16(17-3)19-14/h8-10H,4-7H2,1-3H3,(H,17,19)
InChIKeyVKQSFCXAJLFOJW-UHFFFAOYSA-N
XLogP2.16
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone (CID 70772710) is [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone is CNc1nc(C(=O)N2CCN(c3cc(C)nc(C)c3)CC2)cs1.
What is the InChIKey of [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The InChIKey is VKQSFCXAJLFOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-11-8-13(9-12(2)18-11)20-4-6-21(7-5-20)15(22)14-10-23-16(17-3)19-14/h8-10H,4-7H2,1-3H3,(H,17,19).
What are the key properties of [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone has a molecular weight of 331.45 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 70772710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).