(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone

C13H22N4OS — CID 62793634

IUPAC(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone
SMILESCc1nc(N)sc1C(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H22N4OS/c1-9-10(19-12(14)15-9)11(18)16-5-7-17(8-6-16)13(2,3)4/h5-8H2,1-4H3,(H2,14,15)
InChIKeyMJTAHOJCVDFJKA-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.59
Rot. Bonds1

About (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone

(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone (PubChem CID 62793634) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone
PubChem CID62793634
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone
SMILESCc1nc(N)sc1C(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H22N4OS/c1-9-10(19-12(14)15-9)11(18)16-5-7-17(8-6-16)13(2,3)4/h5-8H2,1-4H3,(H2,14,15)
InChIKeyMJTAHOJCVDFJKA-UHFFFAOYSA-N
XLogP1.59
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone?
The IUPAC name of (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone (CID 62793634) is (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone?
The canonical SMILES for (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone is Cc1nc(N)sc1C(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone?
The InChIKey is MJTAHOJCVDFJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-9-10(19-12(14)15-9)11(18)16-5-7-17(8-6-16)13(2,3)4/h5-8H2,1-4H3,(H2,14,15).
What are the key properties of (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone?
(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone has a molecular weight of 282.41 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone is sourced from PubChem (CID 62793634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).