1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone

C14H18N4OS2 — CID 39826498

IUPAC1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
SMILESCCc1n[nH]c2c1CN(C(=O)CSc1nc(C)cs1)CC2
InChIInChI=1S/C14H18N4OS2/c1-3-11-10-6-18(5-4-12(10)17-16-11)13(19)8-21-14-15-9(2)7-20-14/h7H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyJHYBKHSPUUCMLZ-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.41
Rot. Bonds4

About 1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone

1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone (PubChem CID 39826498) has the molecular formula C14H18N4OS2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
PubChem CID39826498
Molecular FormulaC14H18N4OS2
Molecular Weight322.46 g/mol
Exact Mass322.09
IUPAC Name1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
SMILESCCc1n[nH]c2c1CN(C(=O)CSc1nc(C)cs1)CC2
InChIInChI=1S/C14H18N4OS2/c1-3-11-10-6-18(5-4-12(10)17-16-11)13(19)8-21-14-15-9(2)7-20-14/h7H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyJHYBKHSPUUCMLZ-UHFFFAOYSA-N
XLogP2.41
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.41
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]-3-(1,3-thiazol-4-yl)propan-1-one
CID 71926774
1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 71926808
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
1-(1,4,6,7-Tetrahydropyrazolo[4,5-c]pyridin-5-yl)-3-(1,3-thiazol-4-yl)propan-1-one
CID 127269288
3-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine formate
CID 129618966
3-(3-methylbutyl)-5-(1,3-thiazol-4-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 30956891
3-ethyl-5-{[2-(ethylthio)-1,3-thiazol-4-yl]acetyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 39782330
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
2-[2-(ethylthio)-1,3-thiazol-4-yl]-N-[2-(4,5,6,7-tetrahydro-2H-indazol-3-yl)ethyl]acetamide
CID 50983268

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone (CID 39826498) is 1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone is CCc1n[nH]c2c1CN(C(=O)CSc1nc(C)cs1)CC2.
What is the InChIKey of 1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The InChIKey is JHYBKHSPUUCMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS2/c1-3-11-10-6-18(5-4-12(10)17-16-11)13(19)8-21-14-15-9(2)7-20-14/h7H,3-6,8H2,1-2H3,(H,16,17).
What are the key properties of 1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone has a molecular weight of 322.46 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 39826498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).