2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide

C21H29N5O3S — CID 46079079

IUPAC2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCOc1ccc(Nc2nc(C(=O)N3CCN(CC(=O)NCC(C)C)CC3)cs2)cc1
InChIInChI=1S/C21H29N5O3S/c1-15(2)12-22-19(27)13-25-8-10-26(11-9-25)20(28)18-14-30-21(24-18)23-16-4-6-17(29-3)7-5-16/h4-7,14-15H,8-13H2,1-3H3,(H,22,27)(H,23,24)
InChIKeyWVSFJNJPKIBLMX-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.43
Rot. Bonds8

About 2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide

2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 46079079) has the molecular formula C21H29N5O3S and a molecular weight of 431.56 g/mol. Its IUPAC name is 2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID46079079
Molecular FormulaC21H29N5O3S
Molecular Weight431.56 g/mol
Exact Mass431.20
IUPAC Name2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCOc1ccc(Nc2nc(C(=O)N3CCN(CC(=O)NCC(C)C)CC3)cs2)cc1
InChIInChI=1S/C21H29N5O3S/c1-15(2)12-22-19(27)13-25-8-10-26(11-9-25)20(28)18-14-30-21(24-18)23-16-4-6-17(29-3)7-5-16/h4-7,14-15H,8-13H2,1-3H3,(H,22,27)(H,23,24)
InChIKeyWVSFJNJPKIBLMX-UHFFFAOYSA-N
XLogP2.43
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 46079084
1-(4-acetylpiperazin-1-yl)-2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42876899
2-[4-[2-(3-chloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 42876933
2-(4-methoxyanilino)-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide
CID 42813617
N-(3-methoxypropyl)-2-[4-[2-(3-methylanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 42876951
2-[4-(2-anilino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 42876762
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 8587824
N-butyl-2-[4-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 18163301
[3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methanone
CID 136546604
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488881
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
CID 166218925
2-[4-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 46079059

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide (CID 46079079) is 2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide is COc1ccc(Nc2nc(C(=O)N3CCN(CC(=O)NCC(C)C)CC3)cs2)cc1.
What is the InChIKey of 2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is WVSFJNJPKIBLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3S/c1-15(2)12-22-19(27)13-25-8-10-26(11-9-25)20(28)18-14-30-21(24-18)23-16-4-6-17(29-3)7-5-16/h4-7,14-15H,8-13H2,1-3H3,(H,22,27)(H,23,24).
What are the key properties of 2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide?
2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 431.56 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 46079079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).