N-(2-methylphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide

C18H23N5O2S — CID 53483863

IUPACN-(2-methylphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1NC(=O)c1cnc(NC(=O)CN2CCN(C)CC2)s1
InChIInChI=1S/C18H23N5O2S/c1-13-5-3-4-6-14(13)20-17(25)15-11-19-18(26-15)21-16(24)12-23-9-7-22(2)8-10-23/h3-6,11H,7-10,12H2,1-2H3,(H,20,25)(H,19,21,24)
InChIKeyHTNCGEYGLSFVMJ-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.89
Rot. Bonds5

About N-(2-methylphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide

N-(2-methylphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 53483863) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID53483863
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC NameN-(2-methylphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1NC(=O)c1cnc(NC(=O)CN2CCN(C)CC2)s1
InChIInChI=1S/C18H23N5O2S/c1-13-5-3-4-6-14(13)20-17(25)15-11-19-18(26-15)21-16(24)12-23-9-7-22(2)8-10-23/h3-6,11H,7-10,12H2,1-2H3,(H,20,25)(H,19,21,24)
InChIKeyHTNCGEYGLSFVMJ-UHFFFAOYSA-N
XLogP1.89
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-methylphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-[[2-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 72703536
2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110856576
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylphenyl)acetamide
CID 43252636
N-(2-methylphenyl)-2-(4-oxopiperidin-1-yl)acetamide
CID 24693967
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
2-(4-benzhydrylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 24823686
N-(2-methylphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 10475942
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9262048
ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide
CID 142082017

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-methylphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide (CID 53483863) is N-(2-methylphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide is Cc1ccccc1NC(=O)c1cnc(NC(=O)CN2CCN(C)CC2)s1.
What is the InChIKey of N-(2-methylphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is HTNCGEYGLSFVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-13-5-3-4-6-14(13)20-17(25)15-11-19-18(26-15)21-16(24)12-23-9-7-22(2)8-10-23/h3-6,11H,7-10,12H2,1-2H3,(H,20,25)(H,19,21,24).
What are the key properties of N-(2-methylphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide?
N-(2-methylphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53483863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).