N-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide

C13H22N4OS — CID 53014665

IUPACN-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
SMILESCN1CCN(c2nc(C(=O)NC(C)(C)C)cs2)CC1
InChIInChI=1S/C13H22N4OS/c1-13(2,3)15-11(18)10-9-19-12(14-10)17-7-5-16(4)6-8-17/h9H,5-8H2,1-4H3,(H,15,18)
InChIKeySUQFJWFLKSHLGK-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.42
Rot. Bonds2

About N-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide

N-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide (PubChem CID 53014665) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
PubChem CID53014665
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
SMILESCN1CCN(c2nc(C(=O)NC(C)(C)C)cs2)CC1
InChIInChI=1S/C13H22N4OS/c1-13(2,3)15-11(18)10-9-19-12(14-10)17-7-5-16(4)6-8-17/h9H,5-8H2,1-4H3,(H,15,18)
InChIKeySUQFJWFLKSHLGK-UHFFFAOYSA-N
XLogP1.42
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide (CID 53014665) is N-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide is CN1CCN(c2nc(C(=O)NC(C)(C)C)cs2)CC1.
What is the InChIKey of N-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is SUQFJWFLKSHLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-13(2,3)15-11(18)10-9-19-12(14-10)17-7-5-16(4)6-8-17/h9H,5-8H2,1-4H3,(H,15,18).
What are the key properties of N-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide?
N-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53014665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).