(2-tert-butyl-1,3-thiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C16H21N5OS — CID 56819834

IUPAC(2-tert-butyl-1,3-thiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCC(C)(C)c1ncc(C(=O)N2CCN(c3ncccn3)CC2)s1
InChIInChI=1S/C16H21N5OS/c1-16(2,3)14-19-11-12(23-14)13(22)20-7-9-21(10-8-20)15-17-5-4-6-18-15/h4-6,11H,7-10H2,1-3H3
InChIKeyLVAVZFSPZSOYRA-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.19
Rot. Bonds2

About (2-tert-butyl-1,3-thiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(2-tert-butyl-1,3-thiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 56819834) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is (2-tert-butyl-1,3-thiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-tert-butyl-1,3-thiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID56819834
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC Name(2-tert-butyl-1,3-thiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCC(C)(C)c1ncc(C(=O)N2CCN(c3ncccn3)CC2)s1
InChIInChI=1S/C16H21N5OS/c1-16(2,3)14-19-11-12(23-14)13(22)20-7-9-21(10-8-20)15-17-5-4-6-18-15/h4-6,11H,7-10H2,1-3H3
InChIKeyLVAVZFSPZSOYRA-UHFFFAOYSA-N
XLogP2.19
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1,3-thiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-tert-butyl-1,3-thiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 56819834) is (2-tert-butyl-1,3-thiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-tert-butyl-1,3-thiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-tert-butyl-1,3-thiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CC(C)(C)c1ncc(C(=O)N2CCN(c3ncccn3)CC2)s1.
What is the InChIKey of (2-tert-butyl-1,3-thiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is LVAVZFSPZSOYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-16(2,3)14-19-11-12(23-14)13(22)20-7-9-21(10-8-20)15-17-5-4-6-18-15/h4-6,11H,7-10H2,1-3H3.
What are the key properties of (2-tert-butyl-1,3-thiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(2-tert-butyl-1,3-thiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 331.44 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1,3-thiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 56819834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).