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

C11H19N5O2S — CID 103380305

IUPAC3-amino-5-[(2-amino-2-oxoethyl)-butylamino]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCCCCN(CC(N)=O)c1snc(N)c1C(=O)NC
InChIInChI=1S/C11H19N5O2S/c1-3-4-5-16(6-7(12)17)11-8(10(18)14-2)9(13)15-19-11/h3-6H2,1-2H3,(H2,12,17)(H2,13,15)(H,14,18)
InChIKeyPAUAQBJYBPBHAX-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.18
Rot. Bonds7

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

3-amino-5-[(2-amino-2-oxoethyl)-butylamino]-N-methyl-1,2-thiazole-4-carboxamide (PubChem CID 103380305) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-amino-5-[(2-amino-2-oxoethyl)-butylamino]-N-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(2-amino-2-oxoethyl)-butylamino]-N-methyl-1,2-thiazole-4-carboxamide
PubChem CID103380305
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name3-amino-5-[(2-amino-2-oxoethyl)-butylamino]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCCCCN(CC(N)=O)c1snc(N)c1C(=O)NC
InChIInChI=1S/C11H19N5O2S/c1-3-4-5-16(6-7(12)17)11-8(10(18)14-2)9(13)15-19-11/h3-6H2,1-2H3,(H2,12,17)(H2,13,15)(H,14,18)
InChIKeyPAUAQBJYBPBHAX-UHFFFAOYSA-N
XLogP0.18
TPSA114.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-[2-methoxyethyl(3-methoxypropyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380390
3-amino-5-[butyl(ethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381391
3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380561
3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103383364
3-amino-5-(diethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381087
3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide
CID 103384359
3-amino-4-[(2-amino-2-oxoethyl)-butylamino]-N-methylbenzamide
CID 82988450
3-amino-5-[cyclopropyl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380383
2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-propylamino]-N-methylacetamide
CID 103380513
3-amino-5-[ethyl(2-hydroxyethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379626
3-amino-5-[ethyl(2-methoxyethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380467
3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379544

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(2-amino-2-oxoethyl)-butylamino]-N-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[(2-amino-2-oxoethyl)-butylamino]-N-methyl-1,2-thiazole-4-carboxamide (CID 103380305) is 3-amino-5-[(2-amino-2-oxoethyl)-butylamino]-N-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[(2-amino-2-oxoethyl)-butylamino]-N-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[(2-amino-2-oxoethyl)-butylamino]-N-methyl-1,2-thiazole-4-carboxamide is CCCCN(CC(N)=O)c1snc(N)c1C(=O)NC.
What is the InChIKey of 3-amino-5-[(2-amino-2-oxoethyl)-butylamino]-N-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is PAUAQBJYBPBHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-3-4-5-16(6-7(12)17)11-8(10(18)14-2)9(13)15-19-11/h3-6H2,1-2H3,(H2,12,17)(H2,13,15)(H,14,18).
What are the key properties of 3-amino-5-[(2-amino-2-oxoethyl)-butylamino]-N-methyl-1,2-thiazole-4-carboxamide?
3-amino-5-[(2-amino-2-oxoethyl)-butylamino]-N-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(2-amino-2-oxoethyl)-butylamino]-N-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103380305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).