2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

C12H16N4O2S3 — CID 6468397

IUPAC2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)CSC2=NCCS2)sc1C(=O)N(C)C
InChIInChI=1S/C12H16N4O2S3/c1-7-9(10(18)16(2)3)21-11(14-7)15-8(17)6-20-12-13-4-5-19-12/h4-6H2,1-3H3,(H,14,15,17)
InChIKeyNNUBMYLACSSYIB-UHFFFAOYSA-N
MW344.49 g/mol
LogP1.93
Rot. Bonds4

About 2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 6468397) has the molecular formula C12H16N4O2S3 and a molecular weight of 344.49 g/mol. Its IUPAC name is 2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID6468397
Molecular FormulaC12H16N4O2S3
Molecular Weight344.49 g/mol
Exact Mass344.04
IUPAC Name2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)CSC2=NCCS2)sc1C(=O)N(C)C
InChIInChI=1S/C12H16N4O2S3/c1-7-9(10(18)16(2)3)21-11(14-7)15-8(17)6-20-12-13-4-5-19-12/h4-6H2,1-3H3,(H,14,15,17)
InChIKeyNNUBMYLACSSYIB-UHFFFAOYSA-N
XLogP1.93
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.49
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 6468397) is 2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)CSC2=NCCS2)sc1C(=O)N(C)C.
What is the InChIKey of 2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is NNUBMYLACSSYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S3/c1-7-9(10(18)16(2)3)21-11(14-7)15-8(17)6-20-12-13-4-5-19-12/h4-6H2,1-3H3,(H,14,15,17).
What are the key properties of 2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 344.49 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 6468397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).