2-ethyl-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1H-imidazole-5-sulfonamide

C12H19N5O2S2 — CID 64557095

IUPAC2-ethyl-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1H-imidazole-5-sulfonamide
SMILESCCNC(C)c1csc(NS(=O)(=O)c2cnc(CC)[nH]2)n1
InChIInChI=1S/C12H19N5O2S2/c1-4-10-14-6-11(16-10)21(18,19)17-12-15-9(7-20-12)8(3)13-5-2/h6-8,13H,4-5H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyWULUESINCCOJLQ-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.90
Rot. Bonds7

About 2-ethyl-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1H-imidazole-5-sulfonamide

2-ethyl-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1H-imidazole-5-sulfonamide (PubChem CID 64557095) has the molecular formula C12H19N5O2S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-ethyl-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1H-imidazole-5-sulfonamide
PubChem CID64557095
Molecular FormulaC12H19N5O2S2
Molecular Weight329.45 g/mol
Exact Mass329.10
IUPAC Name2-ethyl-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1H-imidazole-5-sulfonamide
SMILESCCNC(C)c1csc(NS(=O)(=O)c2cnc(CC)[nH]2)n1
InChIInChI=1S/C12H19N5O2S2/c1-4-10-14-6-11(16-10)21(18,19)17-12-15-9(7-20-12)8(3)13-5-2/h6-8,13H,4-5H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyWULUESINCCOJLQ-UHFFFAOYSA-N
XLogP1.90
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 64557293
N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide
CID 102691031
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64555493
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114388857
2-ethyl-N-(5-iodo-2-pyridinyl)-1H-imidazole-5-sulfonamide
CID 65098522
N-(3-chloro-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 65036950
3-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-dimethylurea
CID 79153399
4-[1-(ethylamino)ethyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 64542711
2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide
CID 65042707
4-[1-(ethylamino)ethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 64545140
N,N-diethyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine
CID 64542709
N-ethyl-1-(2-pentan-3-yl-1,3-thiazol-4-yl)ethanamine
CID 64545111

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1H-imidazole-5-sulfonamide (CID 64557095) is 2-ethyl-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1H-imidazole-5-sulfonamide is CCNC(C)c1csc(NS(=O)(=O)c2cnc(CC)[nH]2)n1.
What is the InChIKey of 2-ethyl-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1H-imidazole-5-sulfonamide?
The InChIKey is WULUESINCCOJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S2/c1-4-10-14-6-11(16-10)21(18,19)17-12-15-9(7-20-12)8(3)13-5-2/h6-8,13H,4-5H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 2-ethyl-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1H-imidazole-5-sulfonamide?
2-ethyl-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1H-imidazole-5-sulfonamide has a molecular weight of 329.45 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 64557095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).