2-[[butylsulfonyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide

C15H27N3O3S2 — CID 42765779

IUPAC2-[[butylsulfonyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCCS(=O)(=O)N(CCC)Cc1nc(C(=O)NCCC)cs1
InChIInChI=1S/C15H27N3O3S2/c1-4-7-10-23(20,21)18(9-6-3)11-14-17-13(12-22-14)15(19)16-8-5-2/h12H,4-11H2,1-3H3,(H,16,19)
InChIKeyBOASDISSWCOFDB-UHFFFAOYSA-N
MW361.53 g/mol
LogP2.62
Rot. Bonds11

About 2-[[butylsulfonyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide

2-[[butylsulfonyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide (PubChem CID 42765779) has the molecular formula C15H27N3O3S2 and a molecular weight of 361.53 g/mol. Its IUPAC name is 2-[[butylsulfonyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[butylsulfonyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
PubChem CID42765779
Molecular FormulaC15H27N3O3S2
Molecular Weight361.53 g/mol
Exact Mass361.15
IUPAC Name2-[[butylsulfonyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCCS(=O)(=O)N(CCC)Cc1nc(C(=O)NCCC)cs1
InChIInChI=1S/C15H27N3O3S2/c1-4-7-10-23(20,21)18(9-6-3)11-14-17-13(12-22-14)15(19)16-8-5-2/h12H,4-11H2,1-3H3,(H,16,19)
InChIKeyBOASDISSWCOFDB-UHFFFAOYSA-N
XLogP2.62
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[butylsulfonyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 5149610
2-[[benzenesulfonyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 42765774
2-[[benzylsulfonyl(butyl)amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide
CID 3376378
2-[[decanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 4660175
2-[[(4-pentylbenzoyl)-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 3256571
2-[[(4-chloro-3-nitrophenyl)sulfonyl-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 3959473
2-[[acetyl(butyl)amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide
CID 42765568
N-butyl-2-[[butyl(decanoyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 5023262
N-butyl-2-[[butyl-[(E)-2-phenylethenyl]sulfonylamino]methyl]-1,3-thiazole-4-carboxamide
CID 6083418
N-butyl-2-[[butyl(cyclopropanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 3323759
2-[[2-phenylbutanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 42765586
2-[[(2-phenylcyclopropanecarbonyl)-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 4031668

Frequently Asked Questions

What is the IUPAC name of 2-[[butylsulfonyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[butylsulfonyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide (CID 42765779) is 2-[[butylsulfonyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[butylsulfonyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[butylsulfonyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide is CCCCS(=O)(=O)N(CCC)Cc1nc(C(=O)NCCC)cs1.
What is the InChIKey of 2-[[butylsulfonyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is BOASDISSWCOFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3S2/c1-4-7-10-23(20,21)18(9-6-3)11-14-17-13(12-22-14)15(19)16-8-5-2/h12H,4-11H2,1-3H3,(H,16,19).
What are the key properties of 2-[[butylsulfonyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide?
2-[[butylsulfonyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 361.53 g/mol, XLogP of 2.62, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butylsulfonyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42765779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).