4-amino-5-N-butan-2-yl-3-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide

C13H22N4O2S — CID 53335799

IUPAC4-amino-5-N-butan-2-yl-3-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide
SMILESCCC(C)NC(=O)c1snc(C(=O)NCC(C)C)c1N
InChIInChI=1S/C13H22N4O2S/c1-5-8(4)16-13(19)11-9(14)10(17-20-11)12(18)15-6-7(2)3/h7-8H,5-6,14H2,1-4H3,(H,15,18)(H,16,19)
InChIKeyBFYOXFWPGIOZPQ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.64
Rot. Bonds6

About 4-amino-5-N-butan-2-yl-3-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-butan-2-yl-3-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide (PubChem CID 53335799) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-amino-5-N-butan-2-yl-3-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-5-N-butan-2-yl-3-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide
PubChem CID53335799
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name4-amino-5-N-butan-2-yl-3-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide
SMILESCCC(C)NC(=O)c1snc(C(=O)NCC(C)C)c1N
InChIInChI=1S/C13H22N4O2S/c1-5-8(4)16-13(19)11-9(14)10(17-20-11)12(18)15-6-7(2)3/h7-8H,5-6,14H2,1-4H3,(H,15,18)(H,16,19)
InChIKeyBFYOXFWPGIOZPQ-UHFFFAOYSA-N
XLogP1.64
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-N-(2-methylpropyl)-5-N-[[(2S)-oxolan-2-yl]methyl]-1,2-thiazole-3,5-dicarboxamide
CID 95186054
4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide
CID 53134287
N-[(2R)-butan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 97415060
4-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide
CID 53335719
4-amino-5-N-[(3,5-difluorophenyl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide
CID 53134294
4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(1S)-1-phenylethyl]-1,2-thiazole-3,5-dicarboxamide
CID 95182977
4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-(1-phenylethyl)-1,2-thiazole-3,5-dicarboxamide
CID 53331402
4-amino-5-N-[(5-methylfuran-2-yl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide
CID 52905863
4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667670
N-butan-2-yl-3-chloro-1,2-thiazole-5-carboxamide
CID 130617010
5-amino-N-(2-methylpropyl)-2H-triazole-4-carboxamide
CID 110484770
4-amino-N-butan-2-yl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116667638

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-butan-2-yl-3-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-5-N-butan-2-yl-3-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide (CID 53335799) is 4-amino-5-N-butan-2-yl-3-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-5-N-butan-2-yl-3-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-5-N-butan-2-yl-3-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide is CCC(C)NC(=O)c1snc(C(=O)NCC(C)C)c1N.
What is the InChIKey of 4-amino-5-N-butan-2-yl-3-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is BFYOXFWPGIOZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-5-8(4)16-13(19)11-9(14)10(17-20-11)12(18)15-6-7(2)3/h7-8H,5-6,14H2,1-4H3,(H,15,18)(H,16,19).
What are the key properties of 4-amino-5-N-butan-2-yl-3-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide?
4-amino-5-N-butan-2-yl-3-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 298.41 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-N-butan-2-yl-3-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 53335799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).