N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-oxo-1,4-thiazepane-3-carboxamide

C11H14N4O3S2 — CID 71798090

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-oxo-1,4-thiazepane-3-carboxamide
SMILESNC(=O)Cc1csc(NC(=O)C2CSCCC(=O)N2)n1
InChIInChI=1S/C11H14N4O3S2/c12-8(16)3-6-4-20-11(13-6)15-10(18)7-5-19-2-1-9(17)14-7/h4,7H,1-3,5H2,(H2,12,16)(H,14,17)(H,13,15,18)
InChIKeyWQVCUNFKBVCIJL-UHFFFAOYSA-N
MW314.39 g/mol
LogP-0.27
Rot. Bonds4

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-oxo-1,4-thiazepane-3-carboxamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-oxo-1,4-thiazepane-3-carboxamide (PubChem CID 71798090) has the molecular formula C11H14N4O3S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-oxo-1,4-thiazepane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-oxo-1,4-thiazepane-3-carboxamide
PubChem CID71798090
Molecular FormulaC11H14N4O3S2
Molecular Weight314.39 g/mol
Exact Mass314.05
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-oxo-1,4-thiazepane-3-carboxamide
SMILESNC(=O)Cc1csc(NC(=O)C2CSCCC(=O)N2)n1
InChIInChI=1S/C11H14N4O3S2/c12-8(16)3-6-4-20-11(13-6)15-10(18)7-5-19-2-1-9(17)14-7/h4,7H,1-3,5H2,(H2,12,16)(H,14,17)(H,13,15,18)
InChIKeyWQVCUNFKBVCIJL-UHFFFAOYSA-N
XLogP-0.27
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 71798059
N-(4-(2-(methylamino)-2-oxoethyl)thiazol-2-yl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 71798091
2-(2-aminothiazol-4-yl)-N-propylacetamide
CID 42281841
Methyl (4-(2-(sec-butylamino)-2-oxoethyl)thiazol-2-yl)carbamate
CID 16883743
Methyl (4-(2-(cyclopropylamino)-2-oxoethyl)thiazol-2-yl)carbamate
CID 16883822
N-(4-{[(prop-2-en-1-yl)carbamoyl]methyl}-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 27396581
N-(4-(2-(ethylamino)-2-oxoethyl)thiazol-2-yl)pivalamide
CID 41227694
2-(2-acetamidothiazol-4-yl)-N-cycloheptylacetamide
CID 41227376
N-[4-[(7S)-7-methyl-5-oxo-1,4-diazepane-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 164639652
potassium (2S,3S)-3-[[2-(2-formamido-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonate
CID 23684789
N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 36168366
2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 40169278

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-oxo-1,4-thiazepane-3-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-oxo-1,4-thiazepane-3-carboxamide (CID 71798090) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-oxo-1,4-thiazepane-3-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-oxo-1,4-thiazepane-3-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-oxo-1,4-thiazepane-3-carboxamide is NC(=O)Cc1csc(NC(=O)C2CSCCC(=O)N2)n1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-oxo-1,4-thiazepane-3-carboxamide?
The InChIKey is WQVCUNFKBVCIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S2/c12-8(16)3-6-4-20-11(13-6)15-10(18)7-5-19-2-1-9(17)14-7/h4,7H,1-3,5H2,(H2,12,16)(H,14,17)(H,13,15,18).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-oxo-1,4-thiazepane-3-carboxamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-oxo-1,4-thiazepane-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-oxo-1,4-thiazepane-3-carboxamide is sourced from PubChem (CID 71798090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).