N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C12H17F3N4OS — CID 123598868

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCN1CCN(CCNC(=O)c2scnc2C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N4OS/c1-18-4-6-19(7-5-18)3-2-16-11(20)9-10(12(13,14)15)17-8-21-9/h8H,2-7H2,1H3,(H,16,20)
InChIKeyYRFGNMZHNJXNBH-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.14
Rot. Bonds4

About N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 123598868) has the molecular formula C12H17F3N4OS and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID123598868
Molecular FormulaC12H17F3N4OS
Molecular Weight322.36 g/mol
Exact Mass322.11
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCN1CCN(CCNC(=O)c2scnc2C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N4OS/c1-18-4-6-19(7-5-18)3-2-16-11(20)9-10(12(13,14)15)17-8-21-9/h8H,2-7H2,1H3,(H,16,20)
InChIKeyYRFGNMZHNJXNBH-UHFFFAOYSA-N
XLogP1.14
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Methyl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
CID 45823033
4-methyl-N-(piperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 43167642
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-5-yl)formamido]acetamide
CID 47209159
4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 45823479
N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035706
4-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47035721
4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)-1,3-thiazole-5-carboxamide
CID 47035815
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47208452
4-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 47210198
2-ethyl-4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 49378352
N-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49448741
N-[1-(3-cyanopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49448899

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 123598868) is N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is CN1CCN(CCNC(=O)c2scnc2C(F)(F)F)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is YRFGNMZHNJXNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4OS/c1-18-4-6-19(7-5-18)3-2-16-11(20)9-10(12(13,14)15)17-8-21-9/h8H,2-7H2,1H3,(H,16,20).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 123598868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).