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

C13H21N5O2S — CID 116663684

IUPAC4-amino-2-(cyclobutylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1sc(NC2CCC2)nc1N)C(=O)N(C)C
InChIInChI=1S/C13H21N5O2S/c1-7(12(20)18(2)3)15-11(19)9-10(14)17-13(21-9)16-8-5-4-6-8/h7-8H,4-6,14H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyQNKYEJLFYWWOBL-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.90
Rot. Bonds5

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

4-amino-2-(cyclobutylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 116663684) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-amino-2-(cyclobutylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclobutylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID116663684
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name4-amino-2-(cyclobutylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1sc(NC2CCC2)nc1N)C(=O)N(C)C
InChIInChI=1S/C13H21N5O2S/c1-7(12(20)18(2)3)15-11(19)9-10(14)17-13(21-9)16-8-5-4-6-8/h7-8H,4-6,14H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyQNKYEJLFYWWOBL-UHFFFAOYSA-N
XLogP0.90
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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4-amino-2-(cyclobutylamino)-N-(3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
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4-amino-2-(cyclobutylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 116668483

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclobutylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclobutylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide (CID 116663684) is 4-amino-2-(cyclobutylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclobutylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclobutylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide is CC(NC(=O)c1sc(NC2CCC2)nc1N)C(=O)N(C)C.
What is the InChIKey of 4-amino-2-(cyclobutylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is QNKYEJLFYWWOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-7(12(20)18(2)3)15-11(19)9-10(14)17-13(21-9)16-8-5-4-6-8/h7-8H,4-6,14H2,1-3H3,(H,15,19)(H,16,17).
What are the key properties of 4-amino-2-(cyclobutylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclobutylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclobutylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).