[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone

C17H23N5OS — CID 70772004

IUPAC[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCCNc1nc(C)c(C(=O)N2CCN(c3ncccc3C)CC2)s1
InChIInChI=1S/C17H23N5OS/c1-4-18-17-20-13(3)14(24-17)16(23)22-10-8-21(9-11-22)15-12(2)6-5-7-19-15/h5-7H,4,8-11H2,1-3H3,(H,18,20)
InChIKeyKJBAOQLIKZAIGH-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.55
Rot. Bonds4

About [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone

[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 70772004) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID70772004
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCCNc1nc(C)c(C(=O)N2CCN(c3ncccc3C)CC2)s1
InChIInChI=1S/C17H23N5OS/c1-4-18-17-20-13(3)14(24-17)16(23)22-10-8-21(9-11-22)15-12(2)6-5-7-19-15/h5-7H,4,8-11H2,1-3H3,(H,18,20)
InChIKeyKJBAOQLIKZAIGH-UHFFFAOYSA-N
XLogP2.55
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone (CID 70772004) is [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone is CCNc1nc(C)c(C(=O)N2CCN(c3ncccc3C)CC2)s1.
What is the InChIKey of [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is KJBAOQLIKZAIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-4-18-17-20-13(3)14(24-17)16(23)22-10-8-21(9-11-22)15-12(2)6-5-7-19-15/h5-7H,4,8-11H2,1-3H3,(H,18,20).
What are the key properties of [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone?
[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 345.47 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 70772004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).