N,N,4-trimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide

C12H20N4OS — CID 8895588

IUPACN,N,4-trimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCN(C)CC2)sc1C(=O)N(C)C
InChIInChI=1S/C12H20N4OS/c1-9-10(11(17)14(2)3)18-12(13-9)16-7-5-15(4)6-8-16/h5-8H2,1-4H3
InChIKeyNFLAVTWHDOIRDB-UHFFFAOYSA-N
MW268.39 g/mol
LogP0.91
Rot. Bonds2

About N,N,4-trimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 8895588) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N,N,4-trimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID8895588
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN,N,4-trimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCN(C)CC2)sc1C(=O)N(C)C
InChIInChI=1S/C12H20N4OS/c1-9-10(11(17)14(2)3)18-12(13-9)16-7-5-15(4)6-8-16/h5-8H2,1-4H3
InChIKeyNFLAVTWHDOIRDB-UHFFFAOYSA-N
XLogP0.91
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (CID 8895588) is N,N,4-trimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is Cc1nc(N2CCN(C)CC2)sc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is NFLAVTWHDOIRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-9-10(11(17)14(2)3)18-12(13-9)16-7-5-15(4)6-8-16/h5-8H2,1-4H3.
What are the key properties of N,N,4-trimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 8895588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).