N-[2-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]ethyl]acetamide

C10H18N4O3S2 — CID 103364028

IUPACN-[2-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]ethyl]acetamide
SMILESCCCS(=O)(=O)c1c(N)nsc1NCCNC(C)=O
InChIInChI=1S/C10H18N4O3S2/c1-3-6-19(16,17)8-9(11)14-18-10(8)13-5-4-12-7(2)15/h13H,3-6H2,1-2H3,(H2,11,14)(H,12,15)
InChIKeyZNRVAPXRYCHRQZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.46
Rot. Bonds7

About N-[2-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]ethyl]acetamide

N-[2-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]ethyl]acetamide (PubChem CID 103364028) has the molecular formula C10H18N4O3S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]ethyl]acetamide
PubChem CID103364028
Molecular FormulaC10H18N4O3S2
Molecular Weight306.41 g/mol
Exact Mass306.08
IUPAC NameN-[2-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]ethyl]acetamide
SMILESCCCS(=O)(=O)c1c(N)nsc1NCCNC(C)=O
InChIInChI=1S/C10H18N4O3S2/c1-3-6-19(16,17)8-9(11)14-18-10(8)13-5-4-12-7(2)15/h13H,3-6H2,1-2H3,(H2,11,14)(H,12,15)
InChIKeyZNRVAPXRYCHRQZ-UHFFFAOYSA-N
XLogP0.46
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-propylsulfonyl-5-N-(2-pyrazol-1-ylethyl)-1,2-thiazole-3,5-diamine
CID 103359563
5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103361069
5-N-(2-morpholin-4-ylethyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103363694
5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103361208
5-N-[2-(1H-imidazol-5-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359875
5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 106044505
5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 106412743
5-N-[(4-bromothiophen-2-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359632
5-N-[(1-methylimidazol-2-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103361217
5-N-[1-(diethylamino)propan-2-yl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103360387
5-N-(1-methoxypropan-2-yl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103363481
4-propylsulfonyl-5-N-[1-(trifluoromethyl)cyclopropyl]-1,2-thiazole-3,5-diamine
CID 106218886

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]ethyl]acetamide (CID 103364028) is N-[2-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]ethyl]acetamide is CCCS(=O)(=O)c1c(N)nsc1NCCNC(C)=O.
What is the InChIKey of N-[2-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]ethyl]acetamide?
The InChIKey is ZNRVAPXRYCHRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S2/c1-3-6-19(16,17)8-9(11)14-18-10(8)13-5-4-12-7(2)15/h13H,3-6H2,1-2H3,(H2,11,14)(H,12,15).
What are the key properties of N-[2-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]ethyl]acetamide?
N-[2-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]ethyl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]ethyl]acetamide is sourced from PubChem (CID 103364028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).