2-(2-aminoethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide

C14H23N5O2S — CID 120642311

IUPAC2-(2-aminoethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide
SMILESCN1CCN(C(=O)CCNC(=O)c2csc(CCN)n2)CC1
InChIInChI=1S/C14H23N5O2S/c1-18-6-8-19(9-7-18)13(20)3-5-16-14(21)11-10-22-12(17-11)2-4-15/h10H,2-9,15H2,1H3,(H,16,21)
InChIKeyJKAWYCNTKHGLNW-UHFFFAOYSA-N
MW325.44 g/mol
LogP-0.46
Rot. Bonds6

About 2-(2-aminoethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide (PubChem CID 120642311) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide
PubChem CID120642311
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC Name2-(2-aminoethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide
SMILESCN1CCN(C(=O)CCNC(=O)c2csc(CCN)n2)CC1
InChIInChI=1S/C14H23N5O2S/c1-18-6-8-19(9-7-18)13(20)3-5-16-14(21)11-10-22-12(17-11)2-4-15/h10H,2-9,15H2,1H3,(H,16,21)
InChIKeyJKAWYCNTKHGLNW-UHFFFAOYSA-N
XLogP-0.46
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66388742
2-(2-aminoethyl)-N-[3-(azepan-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 120629089
methyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]propanoate
CID 66390867
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66373431
2-(2-aminoethyl)-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66373433
methyl 6-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]hexanoate
CID 120617892
2-(2-aminoethyl)-N-(2-methylsulfanylethyl)-1,3-thiazole-4-carboxamide
CID 66388986
2-(2-aminoethyl)-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120632635
2-(2-aminoethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 80682880
2-(2-aminoethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 120638873
2-(2-aminoethyl)-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 66388753

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide (CID 120642311) is 2-(2-aminoethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide is CN1CCN(C(=O)CCNC(=O)c2csc(CCN)n2)CC1.
What is the InChIKey of 2-(2-aminoethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide?
The InChIKey is JKAWYCNTKHGLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-18-6-8-19(9-7-18)13(20)3-5-16-14(21)11-10-22-12(17-11)2-4-15/h10H,2-9,15H2,1H3,(H,16,21).
What are the key properties of 2-(2-aminoethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide has a molecular weight of 325.44 g/mol, XLogP of -0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120642311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).