N-(2-amino-2-oxoethyl)-5-chloro-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide

C9H13ClN4O2S — CID 80625287

IUPACN-(2-amino-2-oxoethyl)-5-chloro-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)CN(CC(N)=O)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C9H13ClN4O2S/c1-5(2)3-14(4-6(11)15)8(16)7-12-13-9(10)17-7/h5H,3-4H2,1-2H3,(H2,11,15)
InChIKeyGZJUFNGRQIXBPQ-UHFFFAOYSA-N
MW276.75 g/mol
LogP0.77
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-5-chloro-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide

N-(2-amino-2-oxoethyl)-5-chloro-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80625287) has the molecular formula C9H13ClN4O2S and a molecular weight of 276.75 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-chloro-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-chloro-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80625287
Molecular FormulaC9H13ClN4O2S
Molecular Weight276.75 g/mol
Exact Mass276.04
IUPAC NameN-(2-amino-2-oxoethyl)-5-chloro-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)CN(CC(N)=O)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C9H13ClN4O2S/c1-5(2)3-14(4-6(11)15)8(16)7-12-13-9(10)17-7/h5H,3-4H2,1-2H3,(H2,11,15)
InChIKeyGZJUFNGRQIXBPQ-UHFFFAOYSA-N
XLogP0.77
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methylpropyl)amino]propanoate
CID 80625299
5-chloro-N-cyclopentyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
CID 80619458
5-chloro-N-(2-cyanopropyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide
CID 80625372
4-amino-N-(2-amino-2-oxoethyl)-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 61109174
N-(2-amino-2-oxoethyl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide
CID 78991790
5-chloro-N,N-dihexyl-1,3,4-thiadiazole-2-carboxamide
CID 80618640
N-(2-amino-2-oxoethyl)-5-bromo-2-fluoro-N-(2-methylpropyl)benzamide
CID 60732695
4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116664452
N-(2-amino-2-oxoethyl)-4-chloro-3-methyl-N-(2-methylpropyl)benzamide
CID 91659506
2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide
CID 60962629
5-chloro-N-(1-cyanopropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80619823
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 62734384

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-chloro-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-chloro-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide (CID 80625287) is N-(2-amino-2-oxoethyl)-5-chloro-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-chloro-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-chloro-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide is CC(C)CN(CC(N)=O)C(=O)c1nnc(Cl)s1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-chloro-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is GZJUFNGRQIXBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2S/c1-5(2)3-14(4-6(11)15)8(16)7-12-13-9(10)17-7/h5H,3-4H2,1-2H3,(H2,11,15).
What are the key properties of N-(2-amino-2-oxoethyl)-5-chloro-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide?
N-(2-amino-2-oxoethyl)-5-chloro-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 276.75 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-chloro-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80625287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).