methyl 4-chloro-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]amino]-1,3-thiazole-5-carboxylate

C13H17ClN4O3S — CID 133429450

IUPACmethyl 4-chloro-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]amino]-1,3-thiazole-5-carboxylate
SMILESCOCCn1nc(C)c(Nc2nc(Cl)c(C(=O)OC)s2)c1C
InChIInChI=1S/C13H17ClN4O3S/c1-7-9(8(2)18(17-7)5-6-20-3)15-13-16-11(14)10(22-13)12(19)21-4/h5-6H2,1-4H3,(H,15,16)
InChIKeySOOGJJYCEGNADP-UHFFFAOYSA-N
MW344.82 g/mol
LogP2.79
Rot. Bonds6

About methyl 4-chloro-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]amino]-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 133429450) has the molecular formula C13H17ClN4O3S and a molecular weight of 344.82 g/mol. Its IUPAC name is methyl 4-chloro-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]amino]-1,3-thiazole-5-carboxylate
PubChem CID133429450
Molecular FormulaC13H17ClN4O3S
Molecular Weight344.82 g/mol
Exact Mass344.07
IUPAC Namemethyl 4-chloro-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]amino]-1,3-thiazole-5-carboxylate
SMILESCOCCn1nc(C)c(Nc2nc(Cl)c(C(=O)OC)s2)c1C
InChIInChI=1S/C13H17ClN4O3S/c1-7-9(8(2)18(17-7)5-6-20-3)15-13-16-11(14)10(22-13)12(19)21-4/h5-6H2,1-4H3,(H,15,16)
InChIKeySOOGJJYCEGNADP-UHFFFAOYSA-N
XLogP2.79
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4-chloro-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]amino]-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-chloro-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-thiazole-5-carboxylate
CID 107854329
methyl 4-chloro-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 79778588
methyl 4-chloro-2-(2-methylanilino)-1,3-thiazole-5-carboxylate
CID 60823388
methyl 4-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-5-carboxylate
CID 62848698
2-(2-chlorophenyl)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 71976166
methyl 4-chloro-2-(2,3-dimethylbutylamino)-1,3-thiazole-5-carboxylate
CID 64597021
methyl 4-chloro-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 60844910
methyl 2-(4-bromoanilino)-4-chloro-1,3-thiazole-5-carboxylate
CID 60844908
methyl 4-chloro-2-(4-fluoroanilino)-1,3-thiazole-5-carboxylate
CID 60845269
methyl 4-chloro-2-[[(2R)-2-hydroxypropyl]amino]-1,3-thiazole-5-carboxylate
CID 93314166
methyl 4-chloro-2-(2-methylprop-2-enylamino)-1,3-thiazole-5-carboxylate
CID 104952855
6-chloro-2-cyclopropyl-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine
CID 133419008

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]amino]-1,3-thiazole-5-carboxylate (CID 133429450) is methyl 4-chloro-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]amino]-1,3-thiazole-5-carboxylate is COCCn1nc(C)c(Nc2nc(Cl)c(C(=O)OC)s2)c1C.
What is the InChIKey of methyl 4-chloro-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is SOOGJJYCEGNADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O3S/c1-7-9(8(2)18(17-7)5-6-20-3)15-13-16-11(14)10(22-13)12(19)21-4/h5-6H2,1-4H3,(H,15,16).
What are the key properties of methyl 4-chloro-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]amino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 344.82 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 133429450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).