methyl 2-(1-aminocyclobutyl)-4-propyl-1,3-thiazole-5-carboxylate

C12H18N2O2S — CID 114358753

IUPACmethyl 2-(1-aminocyclobutyl)-4-propyl-1,3-thiazole-5-carboxylate
SMILESCCCc1nc(C2(N)CCC2)sc1C(=O)OC
InChIInChI=1S/C12H18N2O2S/c1-3-5-8-9(10(15)16-2)17-11(14-8)12(13)6-4-7-12/h3-7,13H2,1-2H3
InChIKeyJCNVSMIGLRCXDC-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.22
Rot. Bonds4

About methyl 2-(1-aminocyclobutyl)-4-propyl-1,3-thiazole-5-carboxylate

methyl 2-(1-aminocyclobutyl)-4-propyl-1,3-thiazole-5-carboxylate (PubChem CID 114358753) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is methyl 2-(1-aminocyclobutyl)-4-propyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-aminocyclobutyl)-4-propyl-1,3-thiazole-5-carboxylate
PubChem CID114358753
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Namemethyl 2-(1-aminocyclobutyl)-4-propyl-1,3-thiazole-5-carboxylate
SMILESCCCc1nc(C2(N)CCC2)sc1C(=O)OC
InChIInChI=1S/C12H18N2O2S/c1-3-5-8-9(10(15)16-2)17-11(14-8)12(13)6-4-7-12/h3-7,13H2,1-2H3
InChIKeyJCNVSMIGLRCXDC-UHFFFAOYSA-N
XLogP2.22
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-aminocyclobutyl)-4-propyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(1-aminocyclobutyl)-4-propyl-1,3-thiazole-5-carboxylate (CID 114358753) is methyl 2-(1-aminocyclobutyl)-4-propyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(1-aminocyclobutyl)-4-propyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(1-aminocyclobutyl)-4-propyl-1,3-thiazole-5-carboxylate is CCCc1nc(C2(N)CCC2)sc1C(=O)OC.
What is the InChIKey of methyl 2-(1-aminocyclobutyl)-4-propyl-1,3-thiazole-5-carboxylate?
The InChIKey is JCNVSMIGLRCXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-5-8-9(10(15)16-2)17-11(14-8)12(13)6-4-7-12/h3-7,13H2,1-2H3.
What are the key properties of methyl 2-(1-aminocyclobutyl)-4-propyl-1,3-thiazole-5-carboxylate?
methyl 2-(1-aminocyclobutyl)-4-propyl-1,3-thiazole-5-carboxylate has a molecular weight of 254.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-aminocyclobutyl)-4-propyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 114358753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).