2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]acetamide

C16H22N4OS2 — CID 50983268

IUPAC2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]acetamide
SMILESCCSc1nc(CC(=O)NCCc2n[nH]c3c2CCCC3)cs1
InChIInChI=1S/C16H22N4OS2/c1-2-22-16-18-11(10-23-16)9-15(21)17-8-7-14-12-5-3-4-6-13(12)19-20-14/h10H,2-9H2,1H3,(H,17,21)(H,19,20)
InChIKeyQSULNFYVRXBEMD-UHFFFAOYSA-N
MW350.51 g/mol
LogP2.76
Rot. Bonds7

About 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]acetamide

2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]acetamide (PubChem CID 50983268) has the molecular formula C16H22N4OS2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]acetamide
PubChem CID50983268
Molecular FormulaC16H22N4OS2
Molecular Weight350.51 g/mol
Exact Mass350.12
IUPAC Name2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]acetamide
SMILESCCSc1nc(CC(=O)NCCc2n[nH]c3c2CCCC3)cs1
InChIInChI=1S/C16H22N4OS2/c1-2-22-16-18-11(10-23-16)9-15(21)17-8-7-14-12-5-3-4-6-13(12)19-20-14/h10H,2-9H2,1H3,(H,17,21)(H,19,20)
InChIKeyQSULNFYVRXBEMD-UHFFFAOYSA-N
XLogP2.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 52.76
H-Bond Donors ≤ 52
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-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
CID 91843321
N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 121523266
5-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 125525000
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
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide
CID 50958104
2-[2-(ethylthio)-1,3-thiazol-4-yl]-N-methyl-N-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)acetamide
CID 50963322
2-[2-(ethylthio)-1,3-thiazol-4-yl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)acetamide
CID 50971719
N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-2-[2-(ethylthio)-1,3-thiazol-4-yl]-N-methylacetamide
CID 50974444
4-(3-isopropyl-1H-pyrazol-5-yl)-1-{[(4-methyl-1,3-thiazol-2-yl)thio]acetyl}piperidine
CID 56704226

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]acetamide (CID 50983268) is 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]acetamide is CCSc1nc(CC(=O)NCCc2n[nH]c3c2CCCC3)cs1.
What is the InChIKey of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]acetamide?
The InChIKey is QSULNFYVRXBEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS2/c1-2-22-16-18-11(10-23-16)9-15(21)17-8-7-14-12-5-3-4-6-13(12)19-20-14/h10H,2-9H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]acetamide?
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]acetamide has a molecular weight of 350.51 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 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-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 50983268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).