1-cyclopentyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide

C14H18N4O2S2 — CID 131922982

IUPAC1-cyclopentyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide
SMILESO=S(=O)(CC1CCCC1)NCc1csc(-c2cnccn2)n1
InChIInChI=1S/C14H18N4O2S2/c19-22(20,10-11-3-1-2-4-11)17-7-12-9-21-14(18-12)13-8-15-5-6-16-13/h5-6,8-9,11,17H,1-4,7,10H2
InChIKeyXXMOGJXPJRENSK-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.21
Rot. Bonds6

About 1-cyclopentyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide

1-cyclopentyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide (PubChem CID 131922982) has the molecular formula C14H18N4O2S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide
PubChem CID131922982
Molecular FormulaC14H18N4O2S2
Molecular Weight338.46 g/mol
Exact Mass338.09
IUPAC Name1-cyclopentyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide
SMILESO=S(=O)(CC1CCCC1)NCc1csc(-c2cnccn2)n1
InChIInChI=1S/C14H18N4O2S2/c19-22(20,10-11-3-1-2-4-11)17-7-12-9-21-14(18-12)13-8-15-5-6-16-13/h5-6,8-9,11,17H,1-4,7,10H2
InChIKeyXXMOGJXPJRENSK-UHFFFAOYSA-N
XLogP2.21
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 131928581
1,2-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide
CID 131925661
4-(chloromethyl)-2-pyrazin-2-yl-1,3-thiazole
CID 23025076
(2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 125441316
2-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 121497616
[4-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone
CID 131933582
N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 138810938
3-(2,5-dioxoimidazolidin-4-yl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 70772607
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 97147318
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 131893307
(4aR,6S,8aR)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carboxamide;hydrochloride
CID 155940378
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 95140572

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-cyclopentyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide (CID 131922982) is 1-cyclopentyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-cyclopentyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-cyclopentyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide is O=S(=O)(CC1CCCC1)NCc1csc(-c2cnccn2)n1.
What is the InChIKey of 1-cyclopentyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide?
The InChIKey is XXMOGJXPJRENSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S2/c19-22(20,10-11-3-1-2-4-11)17-7-12-9-21-14(18-12)13-8-15-5-6-16-13/h5-6,8-9,11,17H,1-4,7,10H2.
What are the key properties of 1-cyclopentyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide?
1-cyclopentyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide has a molecular weight of 338.46 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 131922982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).