2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide

C14H15N5OS2 — CID 90653515

IUPAC2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
SMILESCCSc1nc(CC(=O)NCc2cnn3cccnc23)cs1
InChIInChI=1S/C14H15N5OS2/c1-2-21-14-18-11(9-22-14)6-12(20)16-7-10-8-17-19-5-3-4-15-13(10)19/h3-5,8-9H,2,6-7H2,1H3,(H,16,20)
InChIKeyNQUSEWPEFFEYLW-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.16
Rot. Bonds6

About 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide

2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide (PubChem CID 90653515) has the molecular formula C14H15N5OS2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
PubChem CID90653515
Molecular FormulaC14H15N5OS2
Molecular Weight333.44 g/mol
Exact Mass333.07
IUPAC Name2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
SMILESCCSc1nc(CC(=O)NCc2cnn3cccnc23)cs1
InChIInChI=1S/C14H15N5OS2/c1-2-21-14-18-11(9-22-14)6-12(20)16-7-10-8-17-19-5-3-4-15-13(10)19/h3-5,8-9H,2,6-7H2,1H3,(H,16,20)
InChIKeyNQUSEWPEFFEYLW-UHFFFAOYSA-N
XLogP2.16
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4,4,4-trifluoro-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)butanamide
CID 86286976
(3R)-3-(4-methoxyphenyl)-3-phenyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide
CID 97282762
2-(1-methylindol-3-yl)sulfanyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
CID 119069253
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide
CID 50964485
N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
CID 86287236
N-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylmethanamine
CID 83873099
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide
CID 50967901
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(3-pyridin-4-ylpropyl)acetamide
CID 50952020
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide
CID 50958576
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide
CID 70777452
3-amino-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide
CID 91832531
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 46986100

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide?
The IUPAC name of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide (CID 90653515) is 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide is CCSc1nc(CC(=O)NCc2cnn3cccnc23)cs1.
What is the InChIKey of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide?
The InChIKey is NQUSEWPEFFEYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS2/c1-2-21-14-18-11(9-22-14)6-12(20)16-7-10-8-17-19-5-3-4-15-13(10)19/h3-5,8-9H,2,6-7H2,1H3,(H,16,20).
What are the key properties of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide?
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide has a molecular weight of 333.44 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide is sourced from PubChem (CID 90653515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).