[5-[(cyclopropylamino)methyl]-4-propyl-1,3-thiazol-2-yl]methanesulfonamide

C11H19N3O2S2 — CID 114364479

IUPAC[5-[(cyclopropylamino)methyl]-4-propyl-1,3-thiazol-2-yl]methanesulfonamide
SMILESCCCc1nc(CS(N)(=O)=O)sc1CNC1CC1
InChIInChI=1S/C11H19N3O2S2/c1-2-3-9-10(6-13-8-4-5-8)17-11(14-9)7-18(12,15)16/h8,13H,2-7H2,1H3,(H2,12,15,16)
InChIKeyQBDWFNAVNRLLRF-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.14
Rot. Bonds7

About [5-[(cyclopropylamino)methyl]-4-propyl-1,3-thiazol-2-yl]methanesulfonamide

[5-[(cyclopropylamino)methyl]-4-propyl-1,3-thiazol-2-yl]methanesulfonamide (PubChem CID 114364479) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is [5-[(cyclopropylamino)methyl]-4-propyl-1,3-thiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound Name[5-[(cyclopropylamino)methyl]-4-propyl-1,3-thiazol-2-yl]methanesulfonamide
PubChem CID114364479
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC Name[5-[(cyclopropylamino)methyl]-4-propyl-1,3-thiazol-2-yl]methanesulfonamide
SMILESCCCc1nc(CS(N)(=O)=O)sc1CNC1CC1
InChIInChI=1S/C11H19N3O2S2/c1-2-3-9-10(6-13-8-4-5-8)17-11(14-9)7-18(12,15)16/h8,13H,2-7H2,1H3,(H2,12,15,16)
InChIKeyQBDWFNAVNRLLRF-UHFFFAOYSA-N
XLogP1.14
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(3-methylbutyl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114364385
N-[[2-[2-(dimethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82433073
N-[[4-propyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114364519
N-[[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82440145
N-[(2-benzyl-4-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 82431466
N-[[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62764635
N-[(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 82438489
N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841779
N-[[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114364493
N-[[2-(1,4-dimethylpiperazin-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114364492
N-[[2-(2,3-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62767317
N-[[2-[(2-bromophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841820

Frequently Asked Questions

What is the IUPAC name of [5-[(cyclopropylamino)methyl]-4-propyl-1,3-thiazol-2-yl]methanesulfonamide?
The IUPAC name of [5-[(cyclopropylamino)methyl]-4-propyl-1,3-thiazol-2-yl]methanesulfonamide (CID 114364479) is [5-[(cyclopropylamino)methyl]-4-propyl-1,3-thiazol-2-yl]methanesulfonamide.
What is the SMILES notation for [5-[(cyclopropylamino)methyl]-4-propyl-1,3-thiazol-2-yl]methanesulfonamide?
The canonical SMILES for [5-[(cyclopropylamino)methyl]-4-propyl-1,3-thiazol-2-yl]methanesulfonamide is CCCc1nc(CS(N)(=O)=O)sc1CNC1CC1.
What is the InChIKey of [5-[(cyclopropylamino)methyl]-4-propyl-1,3-thiazol-2-yl]methanesulfonamide?
The InChIKey is QBDWFNAVNRLLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-2-3-9-10(6-13-8-4-5-8)17-11(14-9)7-18(12,15)16/h8,13H,2-7H2,1H3,(H2,12,15,16).
What are the key properties of [5-[(cyclopropylamino)methyl]-4-propyl-1,3-thiazol-2-yl]methanesulfonamide?
[5-[(cyclopropylamino)methyl]-4-propyl-1,3-thiazol-2-yl]methanesulfonamide has a molecular weight of 289.43 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(cyclopropylamino)methyl]-4-propyl-1,3-thiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 114364479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).