methyl 5-(propan-2-ylamino)-1,3-thiazole-4-carboxylate

C8H12N2O2S — CID 130014232

IUPACmethyl 5-(propan-2-ylamino)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1NC(C)C
InChIInChI=1S/C8H12N2O2S/c1-5(2)10-7-6(8(11)12-3)9-4-13-7/h4-5,10H,1-3H3
InChIKeyFQJHIABFJIUYMW-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.75
Rot. Bonds3

About methyl 5-(propan-2-ylamino)-1,3-thiazole-4-carboxylate

methyl 5-(propan-2-ylamino)-1,3-thiazole-4-carboxylate (PubChem CID 130014232) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is methyl 5-(propan-2-ylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(propan-2-ylamino)-1,3-thiazole-4-carboxylate
PubChem CID130014232
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Namemethyl 5-(propan-2-ylamino)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1NC(C)C
InChIInChI=1S/C8H12N2O2S/c1-5(2)10-7-6(8(11)12-3)9-4-13-7/h4-5,10H,1-3H3
InChIKeyFQJHIABFJIUYMW-UHFFFAOYSA-N
XLogP1.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-amino-1,3-thiazole-4-carboxylate
CID 12620181
Methyl 5-(methylamino)thiazole-4-carboxylate
CID 12792584
US11390631, Example 335
CID 126482463
Methyl 5-amino-1,3-thiazole-4-carboxylate
CID 53408092
Ethyl 5-(methylamino)-1,3-thiazole-4-carboxylate
CID 54593333
5-(Ethylamino)-1,3-thiazole-4-carboxylic acid
CID 64631696
Methyl 2-bromo-5-(methylamino)-1,3-thiazole-4-carboxylate
CID 121393589
Ethyl 5-amino-2-(1-aminoethyl)-1,3-thiazole-4-carboxylate dihydrochloride
CID 138006954
Ethyl 2-methyl-5-(methylamino)thiazole-4-carboxylate
CID 14616139
methyl 5-[(3R)-3-methylpiperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 89726179
Methyl 5-(3-methylpiperazin-1-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 89726180
methyl 5-[(3R)-3-ethylpiperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 117834413

Frequently Asked Questions

What is the IUPAC name of methyl 5-(propan-2-ylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-(propan-2-ylamino)-1,3-thiazole-4-carboxylate (CID 130014232) is methyl 5-(propan-2-ylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-(propan-2-ylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-(propan-2-ylamino)-1,3-thiazole-4-carboxylate is COC(=O)c1ncsc1NC(C)C.
What is the InChIKey of methyl 5-(propan-2-ylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is FQJHIABFJIUYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-5(2)10-7-6(8(11)12-3)9-4-13-7/h4-5,10H,1-3H3.
What are the key properties of methyl 5-(propan-2-ylamino)-1,3-thiazole-4-carboxylate?
methyl 5-(propan-2-ylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 200.26 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(propan-2-ylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 130014232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).