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

C11H18N4OS — CID 53014663

IUPACN,N-dimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
SMILESCN1CCN(c2nc(C(=O)N(C)C)cs2)CC1
InChIInChI=1S/C11H18N4OS/c1-13(2)10(16)9-8-17-11(12-9)15-6-4-14(3)5-7-15/h8H,4-7H2,1-3H3
InChIKeyDYAJWNFCQIAQTL-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.60
Rot. Bonds2

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

N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide (PubChem CID 53014663) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
PubChem CID53014663
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN,N-dimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
SMILESCN1CCN(c2nc(C(=O)N(C)C)cs2)CC1
InChIInChI=1S/C11H18N4OS/c1-13(2)10(16)9-8-17-11(12-9)15-6-4-14(3)5-7-15/h8H,4-7H2,1-3H3
InChIKeyDYAJWNFCQIAQTL-UHFFFAOYSA-N
XLogP0.60
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide (CID 53014663) is N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide is CN1CCN(c2nc(C(=O)N(C)C)cs2)CC1.
What is the InChIKey of N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is DYAJWNFCQIAQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-13(2)10(16)9-8-17-11(12-9)15-6-4-14(3)5-7-15/h8H,4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide?
N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53014663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).