4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

C13H23N5O2S — CID 116664452

IUPAC4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)CN(CC(N)=O)C(=O)c1sc(NC(C)C)nc1N
InChIInChI=1S/C13H23N5O2S/c1-7(2)5-18(6-9(14)19)12(20)10-11(15)17-13(21-10)16-8(3)4/h7-8H,5-6,15H2,1-4H3,(H2,14,19)(H,16,17)
InChIKeyRRDISXKAJWJOHO-UHFFFAOYSA-N
MW313.43 g/mol
LogP1.13
Rot. Bonds7

About 4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116664452) has the molecular formula C13H23N5O2S and a molecular weight of 313.43 g/mol. Its IUPAC name is 4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID116664452
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC Name4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)CN(CC(N)=O)C(=O)c1sc(NC(C)C)nc1N
InChIInChI=1S/C13H23N5O2S/c1-7(2)5-18(6-9(14)19)12(20)10-11(15)17-13(21-10)16-8(3)4/h7-8H,5-6,15H2,1-4H3,(H2,14,19)(H,16,17)
InChIKeyRRDISXKAJWJOHO-UHFFFAOYSA-N
XLogP1.13
TPSA114.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669861
4-amino-N-ethyl-N-(2-methylpropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116669628
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669894
4-amino-N-ethyl-N-(2-methoxyethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663472
4-amino-N-(cyclobutylmethyl)-N-ethyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 107403247
4-amino-N-methyl-N-pentan-3-yl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116670351
4-amino-N-[2-(dimethylamino)ethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666292
4-amino-N-methyl-N-(2-methylsulfonylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116671321
4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672819
4-amino-N-(cyclopropylmethyl)-2-(propan-2-ylamino)-N-propyl-1,3-thiazole-5-carboxamide
CID 116663404
methyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 116674032
4-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116664503

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 116664452) is 4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is CC(C)CN(CC(N)=O)C(=O)c1sc(NC(C)C)nc1N.
What is the InChIKey of 4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is RRDISXKAJWJOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S/c1-7(2)5-18(6-9(14)19)12(20)10-11(15)17-13(21-10)16-8(3)4/h7-8H,5-6,15H2,1-4H3,(H2,14,19)(H,16,17).
What are the key properties of 4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).