3-amino-5-[cyclopropyl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide

C11H18N4O2S — CID 103380383

IUPAC3-amino-5-[cyclopropyl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N(CCOC)C1CC1
InChIInChI=1S/C11H18N4O2S/c1-13-10(16)8-9(12)14-18-11(8)15(5-6-17-2)7-3-4-7/h7H,3-6H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyRNUXIWUGVSEUCV-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.70
Rot. Bonds6

About 3-amino-5-[cyclopropyl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide

3-amino-5-[cyclopropyl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide (PubChem CID 103380383) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-amino-5-[cyclopropyl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[cyclopropyl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
PubChem CID103380383
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name3-amino-5-[cyclopropyl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N(CCOC)C1CC1
InChIInChI=1S/C11H18N4O2S/c1-13-10(16)8-9(12)14-18-11(8)15(5-6-17-2)7-3-4-7/h7H,3-6H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyRNUXIWUGVSEUCV-UHFFFAOYSA-N
XLogP0.70
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[cyclopropyl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[cyclopropyl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide (CID 103380383) is 3-amino-5-[cyclopropyl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[cyclopropyl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[cyclopropyl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1N(CCOC)C1CC1.
What is the InChIKey of 3-amino-5-[cyclopropyl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is RNUXIWUGVSEUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-13-10(16)8-9(12)14-18-11(8)15(5-6-17-2)7-3-4-7/h7H,3-6H2,1-2H3,(H2,12,14)(H,13,16).
What are the key properties of 3-amino-5-[cyclopropyl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide?
3-amino-5-[cyclopropyl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[cyclopropyl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103380383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).