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

C11H12N4O2S3 — CID 47284095

IUPACN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2scnc2C)sc1SCC(N)=O
InChIInChI=1S/C11H12N4O2S3/c1-5-8(19-4-13-5)9(17)15-11-14-6(2)10(20-11)18-3-7(12)16/h4H,3H2,1-2H3,(H2,12,16)(H,14,15,17)
InChIKeyNMYWYNOWQBVDKT-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.05
Rot. Bonds5

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

N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 47284095) has the molecular formula C11H12N4O2S3 and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID47284095
Molecular FormulaC11H12N4O2S3
Molecular Weight328.44 g/mol
Exact Mass328.01
IUPAC NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2scnc2C)sc1SCC(N)=O
InChIInChI=1S/C11H12N4O2S3/c1-5-8(19-4-13-5)9(17)15-11-14-6(2)10(20-11)18-3-7(12)16/h4H,3H2,1-2H3,(H2,12,16)(H,14,15,17)
InChIKeyNMYWYNOWQBVDKT-UHFFFAOYSA-N
XLogP2.05
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 47284095) is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2scnc2C)sc1SCC(N)=O.
What is the InChIKey of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is NMYWYNOWQBVDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S3/c1-5-8(19-4-13-5)9(17)15-11-14-6(2)10(20-11)18-3-7(12)16/h4H,3H2,1-2H3,(H2,12,16)(H,14,15,17).
What are the key properties of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47284095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).