N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide

C11H19N3O3S2 — CID 91760478

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
SMILESCc1nc(CCNC(=O)CCNS(C)(=O)=O)sc1C
InChIInChI=1S/C11H19N3O3S2/c1-8-9(2)18-11(14-8)5-6-12-10(15)4-7-13-19(3,16)17/h13H,4-7H2,1-3H3,(H,12,15)
InChIKeyLZWFQADNTDKORP-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.36
Rot. Bonds7

About N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide (PubChem CID 91760478) has the molecular formula C11H19N3O3S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
PubChem CID91760478
Molecular FormulaC11H19N3O3S2
Molecular Weight305.43 g/mol
Exact Mass305.09
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
SMILESCc1nc(CCNC(=O)CCNS(C)(=O)=O)sc1C
InChIInChI=1S/C11H19N3O3S2/c1-8-9(2)18-11(14-8)5-6-12-10(15)4-7-13-19(3,16)17/h13H,4-7H2,1-3H3,(H,12,15)
InChIKeyLZWFQADNTDKORP-UHFFFAOYSA-N
XLogP0.36
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 120565744
N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 110388675
(2R)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 119891761
(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 97122807
2-(4-aminophenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119891738
N-[2-(2,4-dichlorophenyl)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 110388742
(2S)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,3-dimethylbutanamide
CID 119891763
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-(4-methylpiperazin-1-yl)pentanamide
CID 91833958
3-bromo-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110091
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119942335
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119891776
2-[2-(4-aminobutanoylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 110460840

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide (CID 91760478) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide is Cc1nc(CCNC(=O)CCNS(C)(=O)=O)sc1C.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide?
The InChIKey is LZWFQADNTDKORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S2/c1-8-9(2)18-11(14-8)5-6-12-10(15)4-7-13-19(3,16)17/h13H,4-7H2,1-3H3,(H,12,15).
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide has a molecular weight of 305.43 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide is sourced from PubChem (CID 91760478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).