methyl 2-amino-4-cyclopropyl-1,3-thiazole-5-carboxylate

C8H10N2O2S — CID 46738915

IUPACmethyl 2-amino-4-cyclopropyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N)nc1C1CC1
InChIInChI=1S/C8H10N2O2S/c1-12-7(11)6-5(4-2-3-4)10-8(9)13-6/h4H,2-3H2,1H3,(H2,9,10)
InChIKeyQRLSMSRWINQRJB-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.39
Rot. Bonds2

About methyl 2-amino-4-cyclopropyl-1,3-thiazole-5-carboxylate

methyl 2-amino-4-cyclopropyl-1,3-thiazole-5-carboxylate (PubChem CID 46738915) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is methyl 2-amino-4-cyclopropyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-cyclopropyl-1,3-thiazole-5-carboxylate
PubChem CID46738915
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Namemethyl 2-amino-4-cyclopropyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N)nc1C1CC1
InChIInChI=1S/C8H10N2O2S/c1-12-7(11)6-5(4-2-3-4)10-8(9)13-6/h4H,2-3H2,1H3,(H2,9,10)
InChIKeyQRLSMSRWINQRJB-UHFFFAOYSA-N
XLogP1.39
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-amino-4-(propan-2-yl)-1,3-thiazole-5-carboxylate
CID 824436
Ethyl 2-amino-4-propyl-1,3-thiazole-5-carboxylate
CID 824437
Ethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate
CID 824452
Methyl 2-amino-4-(tert-butyl)thiazole-5-carboxylate
CID 1488168
Ethyl 2-amino-4-ethyl-1,3-thiazole-5-carboxylate
CID 12801682
Methyl 2-amino-4-cyclopentyl-1,3-thiazole-5-carboxylate
CID 75449176
Methyl 2-amino-4-ethyl-1,3-thiazole-5-carboxylate
CID 735005
Methyl 2-amino-4-(propan-2-yl)-1,3-thiazole-5-carboxylate
CID 45089529
Methyl 2-bromo-4-cyclopropyl-1,3-thiazole-5-carboxylate
CID 129972428
Methyl 2-amino-5-cyclopropyl-1,3-thiazole-4-carboxylate
CID 86775516
methyl 2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-4-propyl-1,3-thiazole-5-carboxylate
CID 162657632
Ethyl 2-amino-4-cyclohexyl-1,3-thiazole-5-carboxylate
CID 20557025

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-cyclopropyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-amino-4-cyclopropyl-1,3-thiazole-5-carboxylate (CID 46738915) is methyl 2-amino-4-cyclopropyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-amino-4-cyclopropyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-amino-4-cyclopropyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N)nc1C1CC1.
What is the InChIKey of methyl 2-amino-4-cyclopropyl-1,3-thiazole-5-carboxylate?
The InChIKey is QRLSMSRWINQRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-12-7(11)6-5(4-2-3-4)10-8(9)13-6/h4H,2-3H2,1H3,(H2,9,10).
What are the key properties of methyl 2-amino-4-cyclopropyl-1,3-thiazole-5-carboxylate?
methyl 2-amino-4-cyclopropyl-1,3-thiazole-5-carboxylate has a molecular weight of 198.25 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-cyclopropyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 46738915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).