ethyl 2-[3-(dimethylamino)-4-methylanilino]-1,3-thiazole-4-carboxylate

C15H19N3O2S — CID 115379577

IUPACethyl 2-[3-(dimethylamino)-4-methylanilino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2ccc(C)c(N(C)C)c2)n1
InChIInChI=1S/C15H19N3O2S/c1-5-20-14(19)12-9-21-15(17-12)16-11-7-6-10(2)13(8-11)18(3)4/h6-9H,5H2,1-4H3,(H,16,17)
InChIKeyXVCVRVJFXNQALG-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.44
Rot. Bonds5

About ethyl 2-[3-(dimethylamino)-4-methylanilino]-1,3-thiazole-4-carboxylate

ethyl 2-[3-(dimethylamino)-4-methylanilino]-1,3-thiazole-4-carboxylate (PubChem CID 115379577) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is ethyl 2-[3-(dimethylamino)-4-methylanilino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-(dimethylamino)-4-methylanilino]-1,3-thiazole-4-carboxylate
PubChem CID115379577
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Nameethyl 2-[3-(dimethylamino)-4-methylanilino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2ccc(C)c(N(C)C)c2)n1
InChIInChI=1S/C15H19N3O2S/c1-5-20-14(19)12-9-21-15(17-12)16-11-7-6-10(2)13(8-11)18(3)4/h6-9H,5H2,1-4H3,(H,16,17)
InChIKeyXVCVRVJFXNQALG-UHFFFAOYSA-N
XLogP3.44
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate
CID 113221139
ethyl 2-(3-bromo-4-chloroanilino)-1,3-thiazole-4-carboxylate
CID 80569528
ethyl 2-(3,4-dicyanoanilino)-1,3-thiazole-4-carboxylate
CID 107794704
ethyl 2-(4-bromo-3-methoxyanilino)-1,3-thiazole-4-carboxylate
CID 82861980
ethyl 2-(quinolin-6-ylamino)-1,3-thiazole-4-carboxylate
CID 80568988
ethyl 2-[5-(3-iodoanilino)-2-methylanilino]-1,3-thiazole-4-carboxylate
CID 174489557
ethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 78919756
ethyl 2-(2,6-dibromo-4-methylanilino)-1,3-thiazole-4-carboxylate
CID 80567895
2-(4-ethoxycarbonylanilino)-1,3-thiazole-4-carboxylic acid
CID 82030598
ethyl 2-(3-chloro-5-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 107371000
ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate
CID 80568594

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(dimethylamino)-4-methylanilino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[3-(dimethylamino)-4-methylanilino]-1,3-thiazole-4-carboxylate (CID 115379577) is ethyl 2-[3-(dimethylamino)-4-methylanilino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[3-(dimethylamino)-4-methylanilino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[3-(dimethylamino)-4-methylanilino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(Nc2ccc(C)c(N(C)C)c2)n1.
What is the InChIKey of ethyl 2-[3-(dimethylamino)-4-methylanilino]-1,3-thiazole-4-carboxylate?
The InChIKey is XVCVRVJFXNQALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-5-20-14(19)12-9-21-15(17-12)16-11-7-6-10(2)13(8-11)18(3)4/h6-9H,5H2,1-4H3,(H,16,17).
What are the key properties of ethyl 2-[3-(dimethylamino)-4-methylanilino]-1,3-thiazole-4-carboxylate?
ethyl 2-[3-(dimethylamino)-4-methylanilino]-1,3-thiazole-4-carboxylate has a molecular weight of 305.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(dimethylamino)-4-methylanilino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115379577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).