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

C13H23N5O2S — CID 103384824

IUPAC3-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCCN(C)C(=O)C(C)Nc1snc(N)c1C(=O)NC(C)C
InChIInChI=1S/C13H23N5O2S/c1-6-18(5)13(20)8(4)16-12-9(10(14)17-21-12)11(19)15-7(2)3/h7-8,16H,6H2,1-5H3,(H2,14,17)(H,15,19)
InChIKeyICIQPDSUIMNJIS-UHFFFAOYSA-N
MW313.43 g/mol
LogP1.14
Rot. Bonds6

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

3-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 103384824) has the molecular formula C13H23N5O2S and a molecular weight of 313.43 g/mol. Its IUPAC name is 3-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID103384824
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC Name3-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCCN(C)C(=O)C(C)Nc1snc(N)c1C(=O)NC(C)C
InChIInChI=1S/C13H23N5O2S/c1-6-18(5)13(20)8(4)16-12-9(10(14)17-21-12)11(19)15-7(2)3/h7-8,16H,6H2,1-5H3,(H2,14,17)(H,15,19)
InChIKeyICIQPDSUIMNJIS-UHFFFAOYSA-N
XLogP1.14
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 51.14
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-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 103384824) is 3-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is CCN(C)C(=O)C(C)Nc1snc(N)c1C(=O)NC(C)C.
What is the InChIKey of 3-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is ICIQPDSUIMNJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S/c1-6-18(5)13(20)8(4)16-12-9(10(14)17-21-12)11(19)15-7(2)3/h7-8,16H,6H2,1-5H3,(H2,14,17)(H,15,19).
What are the key properties of 3-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 1.14, 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-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103384824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).