2-methylsulfonyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]acetamide

C11H19N3O3S2 — CID 64558074

IUPAC2-methylsulfonyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]acetamide
SMILESCCCNC(C)c1csc(NC(=O)CS(C)(=O)=O)n1
InChIInChI=1S/C11H19N3O3S2/c1-4-5-12-8(2)9-6-18-11(13-9)14-10(15)7-19(3,16)17/h6,8,12H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyUYFFBIOORWAZOV-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.19
Rot. Bonds7

About 2-methylsulfonyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]acetamide

2-methylsulfonyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 64558074) has the molecular formula C11H19N3O3S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID64558074
Molecular FormulaC11H19N3O3S2
Molecular Weight305.43 g/mol
Exact Mass305.09
IUPAC Name2-methylsulfonyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]acetamide
SMILESCCCNC(C)c1csc(NC(=O)CS(C)(=O)=O)n1
InChIInChI=1S/C11H19N3O3S2/c1-4-5-12-8(2)9-6-18-11(13-9)14-10(15)7-19(3,16)17/h6,8,12H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyUYFFBIOORWAZOV-UHFFFAOYSA-N
XLogP1.19
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]butanamide
CID 64556483
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64555493
4-fluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 64557871
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methoxyacetamide
CID 64557469
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-propoxypropanamide
CID 64556081
2-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide
CID 64557479
2-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 64557088
3-ethoxy-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64557080
N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]cyclopentanesulfonamide
CID 105361028
3-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-dimethylurea
CID 79153399
methyl 2-[2-[(2-methylsulfonylacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 61354731
N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide
CID 102691031

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-methylsulfonyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]acetamide (CID 64558074) is 2-methylsulfonyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-methylsulfonyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-methylsulfonyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]acetamide is CCCNC(C)c1csc(NC(=O)CS(C)(=O)=O)n1.
What is the InChIKey of 2-methylsulfonyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is UYFFBIOORWAZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S2/c1-4-5-12-8(2)9-6-18-11(13-9)14-10(15)7-19(3,16)17/h6,8,12H,4-5,7H2,1-3H3,(H,13,14,15).
What are the key properties of 2-methylsulfonyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]acetamide?
2-methylsulfonyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 305.43 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 64558074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).