2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide

C15H20N4OS2 — CID 50963322

IUPAC2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
SMILESCCSc1nc(CC(=O)N(C)Cc2n[nH]c3c2CCC3)cs1
InChIInChI=1S/C15H20N4OS2/c1-3-21-15-16-10(9-22-15)7-14(20)19(2)8-13-11-5-4-6-12(11)17-18-13/h9H,3-8H2,1-2H3,(H,17,18)
InChIKeyLCHQZUOGWFONRC-UHFFFAOYSA-N
MW336.49 g/mol
LogP2.67
Rot. Bonds6

About 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide

2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide (PubChem CID 50963322) has the molecular formula C15H20N4OS2 and a molecular weight of 336.49 g/mol. Its IUPAC name is 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
PubChem CID50963322
Molecular FormulaC15H20N4OS2
Molecular Weight336.49 g/mol
Exact Mass336.11
IUPAC Name2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
SMILESCCSc1nc(CC(=O)N(C)Cc2n[nH]c3c2CCC3)cs1
InChIInChI=1S/C15H20N4OS2/c1-3-21-15-16-10(9-22-15)7-14(20)19(2)8-13-11-5-4-6-12(11)17-18-13/h9H,3-8H2,1-2H3,(H,17,18)
InChIKeyLCHQZUOGWFONRC-UHFFFAOYSA-N
XLogP2.67
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 71926808
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-{2-[(methylthio)methyl]-1,3-thiazol-4-yl}ethyl)acetamide
CID 72848138
N-methyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)propanamide
CID 70768411
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 77086153
N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 121523266
3-cyclopropyl-N,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 124211498
3-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 131904718
4-[1-(1,4,5,6-Tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 177661621
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 128991429
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 128993993
3-ethyl-5-{[2-(ethylthio)-1,3-thiazol-4-yl]acetyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 39782330
3-ethyl-5-{[(4-methyl-1,3-thiazol-2-yl)thio]acetyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 39826498

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
The IUPAC name of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide (CID 50963322) is 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide is CCSc1nc(CC(=O)N(C)Cc2n[nH]c3c2CCC3)cs1.
What is the InChIKey of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
The InChIKey is LCHQZUOGWFONRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS2/c1-3-21-15-16-10(9-22-15)7-14(20)19(2)8-13-11-5-4-6-12(11)17-18-13/h9H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide has a molecular weight of 336.49 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide is sourced from PubChem (CID 50963322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).