3-amino-5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-N-methyl-1,2-thiazole-4-carboxamide

C12H21N5O2S — CID 103383996

IUPAC3-amino-5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)C(C)Nc1snc(N)c1C(=O)NC
InChIInChI=1S/C12H21N5O2S/c1-5-17(6-2)12(19)7(3)15-11-8(10(18)14-4)9(13)16-20-11/h7,15H,5-6H2,1-4H3,(H2,13,16)(H,14,18)
InChIKeyBPEXDZPZSJORJW-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.75
Rot. Bonds6

About 3-amino-5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-N-methyl-1,2-thiazole-4-carboxamide

3-amino-5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-N-methyl-1,2-thiazole-4-carboxamide (PubChem CID 103383996) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-amino-5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-N-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-N-methyl-1,2-thiazole-4-carboxamide
PubChem CID103383996
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC Name3-amino-5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)C(C)Nc1snc(N)c1C(=O)NC
InChIInChI=1S/C12H21N5O2S/c1-5-17(6-2)12(19)7(3)15-11-8(10(18)14-4)9(13)16-20-11/h7,15H,5-6H2,1-4H3,(H2,13,16)(H,14,18)
InChIKeyBPEXDZPZSJORJW-UHFFFAOYSA-N
XLogP0.75
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-N-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-N-methyl-1,2-thiazole-4-carboxamide (CID 103383996) is 3-amino-5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-N-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-N-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-N-methyl-1,2-thiazole-4-carboxamide is CCN(CC)C(=O)C(C)Nc1snc(N)c1C(=O)NC.
What is the InChIKey of 3-amino-5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-N-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is BPEXDZPZSJORJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-5-17(6-2)12(19)7(3)15-11-8(10(18)14-4)9(13)16-20-11/h7,15H,5-6H2,1-4H3,(H2,13,16)(H,14,18).
What are the key properties of 3-amino-5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-N-methyl-1,2-thiazole-4-carboxamide?
3-amino-5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-N-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-N-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103383996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).