ethyl 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate

C13H21N3O2S — CID 103380752

IUPACethyl 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1N(CC1CC1)C(C)C
InChIInChI=1S/C13H21N3O2S/c1-4-18-13(17)10-11(14)15-19-12(10)16(8(2)3)7-9-5-6-9/h8-9H,4-7H2,1-3H3,(H2,14,15)
InChIKeyOXLMYADIVMRACW-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.53
Rot. Bonds6

About ethyl 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate

ethyl 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate (PubChem CID 103380752) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is ethyl 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate
PubChem CID103380752
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Nameethyl 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1N(CC1CC1)C(C)C
InChIInChI=1S/C13H21N3O2S/c1-4-18-13(17)10-11(14)15-19-12(10)16(8(2)3)7-9-5-6-9/h8-9H,4-7H2,1-3H3,(H2,14,15)
InChIKeyOXLMYADIVMRACW-UHFFFAOYSA-N
XLogP2.53
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate (CID 103380752) is ethyl 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(N)nsc1N(CC1CC1)C(C)C.
What is the InChIKey of ethyl 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate?
The InChIKey is OXLMYADIVMRACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-4-18-13(17)10-11(14)15-19-12(10)16(8(2)3)7-9-5-6-9/h8-9H,4-7H2,1-3H3,(H2,14,15).
What are the key properties of ethyl 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate?
ethyl 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate has a molecular weight of 283.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103380752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).