ethyl 2-[2-[(4-bromo-1-methylpyrazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate

C12H13BrN4O3S — CID 19475057

IUPACethyl 2-[2-[(4-bromo-1-methylpyrazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2c(Br)cnn2C)n1
InChIInChI=1S/C12H13BrN4O3S/c1-3-20-9(18)4-7-6-21-12(15-7)16-11(19)10-8(13)5-14-17(10)2/h5-6H,3-4H2,1-2H3,(H,15,16,19)
InChIKeyIWDLSOPYDJKSEL-UHFFFAOYSA-N
MW373.23 g/mol
LogP2.00
Rot. Bonds5

About ethyl 2-[2-[(4-bromo-1-methylpyrazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(4-bromo-1-methylpyrazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 19475057) has the molecular formula C12H13BrN4O3S and a molecular weight of 373.23 g/mol. Its IUPAC name is ethyl 2-[2-[(4-bromo-1-methylpyrazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-bromo-1-methylpyrazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID19475057
Molecular FormulaC12H13BrN4O3S
Molecular Weight373.23 g/mol
Exact Mass371.99
IUPAC Nameethyl 2-[2-[(4-bromo-1-methylpyrazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2c(Br)cnn2C)n1
InChIInChI=1S/C12H13BrN4O3S/c1-3-20-9(18)4-7-6-21-12(15-7)16-11(19)10-8(13)5-14-17(10)2/h5-6H,3-4H2,1-2H3,(H,15,16,19)
InChIKeyIWDLSOPYDJKSEL-UHFFFAOYSA-N
XLogP2.00
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[2-[(1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 19474564
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 19280753
ethyl 2-[2-[(6-bromopyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 66463368
ethyl 2-[2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19477527
ethyl 2-[2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 66335727
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
ethyl 2-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 18139388
ethyl 2-[2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80575034
ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate
CID 78907475
ethyl 2-[2-[3-(1,2,4-triazol-1-yl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 31517149
ethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate
CID 43622982

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-bromo-1-methylpyrazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(4-bromo-1-methylpyrazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate (CID 19475057) is ethyl 2-[2-[(4-bromo-1-methylpyrazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(4-bromo-1-methylpyrazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(4-bromo-1-methylpyrazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2c(Br)cnn2C)n1.
What is the InChIKey of ethyl 2-[2-[(4-bromo-1-methylpyrazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is IWDLSOPYDJKSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O3S/c1-3-20-9(18)4-7-6-21-12(15-7)16-11(19)10-8(13)5-14-17(10)2/h5-6H,3-4H2,1-2H3,(H,15,16,19).
What are the key properties of ethyl 2-[2-[(4-bromo-1-methylpyrazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(4-bromo-1-methylpyrazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 373.23 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-bromo-1-methylpyrazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 19475057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).