3-amino-5-(2,2-dicyclopropylethylamino)-N-methyl-1,2-thiazole-4-carboxamide

C13H20N4OS — CID 103378938

IUPAC3-amino-5-(2,2-dicyclopropylethylamino)-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCC(C1CC1)C1CC1
InChIInChI=1S/C13H20N4OS/c1-15-12(18)10-11(14)17-19-13(10)16-6-9(7-2-3-7)8-4-5-8/h7-9,16H,2-6H2,1H3,(H2,14,17)(H,15,18)
InChIKeyGPXOSFRQYWAHOU-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.93
Rot. Bonds6

About 3-amino-5-(2,2-dicyclopropylethylamino)-N-methyl-1,2-thiazole-4-carboxamide

3-amino-5-(2,2-dicyclopropylethylamino)-N-methyl-1,2-thiazole-4-carboxamide (PubChem CID 103378938) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 3-amino-5-(2,2-dicyclopropylethylamino)-N-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(2,2-dicyclopropylethylamino)-N-methyl-1,2-thiazole-4-carboxamide
PubChem CID103378938
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name3-amino-5-(2,2-dicyclopropylethylamino)-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCC(C1CC1)C1CC1
InChIInChI=1S/C13H20N4OS/c1-15-12(18)10-11(14)17-19-13(10)16-6-9(7-2-3-7)8-4-5-8/h7-9,16H,2-6H2,1H3,(H2,14,17)(H,15,18)
InChIKeyGPXOSFRQYWAHOU-UHFFFAOYSA-N
XLogP1.93
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,2-dicyclopropylethylamino)-N-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(2,2-dicyclopropylethylamino)-N-methyl-1,2-thiazole-4-carboxamide (CID 103378938) is 3-amino-5-(2,2-dicyclopropylethylamino)-N-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(2,2-dicyclopropylethylamino)-N-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(2,2-dicyclopropylethylamino)-N-methyl-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1NCC(C1CC1)C1CC1.
What is the InChIKey of 3-amino-5-(2,2-dicyclopropylethylamino)-N-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is GPXOSFRQYWAHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-15-12(18)10-11(14)17-19-13(10)16-6-9(7-2-3-7)8-4-5-8/h7-9,16H,2-6H2,1H3,(H2,14,17)(H,15,18).
What are the key properties of 3-amino-5-(2,2-dicyclopropylethylamino)-N-methyl-1,2-thiazole-4-carboxamide?
3-amino-5-(2,2-dicyclopropylethylamino)-N-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 280.40 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2,2-dicyclopropylethylamino)-N-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103378938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).