ethylbenzene;[2-(methylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]methanol

C16H20N4OS — CID 91596649

IUPACethylbenzene;[2-(methylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]methanol
SMILESCCc1ccccc1.CNc1nc(-c2cn[nH]c2)c(CO)s1
InChIInChI=1S/C8H10N4OS.C8H10/c1-9-8-12-7(6(4-13)14-8)5-2-10-11-3-5;1-2-8-6-4-3-5-7-8/h2-3,13H,4H2,1H3,(H,9,12)(H,10,11);3-7H,2H2,1H3
InChIKeyQRMQLNUEYNODEJ-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.32
Rot. Bonds4

About ethylbenzene;[2-(methylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]methanol

ethylbenzene;[2-(methylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 91596649) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is ethylbenzene;[2-(methylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Nameethylbenzene;[2-(methylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]methanol
PubChem CID91596649
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Nameethylbenzene;[2-(methylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]methanol
SMILESCCc1ccccc1.CNc1nc(-c2cn[nH]c2)c(CO)s1
InChIInChI=1S/C8H10N4OS.C8H10/c1-9-8-12-7(6(4-13)14-8)5-2-10-11-3-5;1-2-8-6-4-3-5-7-8/h2-3,13H,4H2,1H3,(H,9,12)(H,10,11);3-7H,2H2,1H3
InChIKeyQRMQLNUEYNODEJ-UHFFFAOYSA-N
XLogP3.32
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethylbenzene;[2-(methylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of ethylbenzene;[2-(methylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]methanol (CID 91596649) is ethylbenzene;[2-(methylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for ethylbenzene;[2-(methylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for ethylbenzene;[2-(methylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]methanol is CCc1ccccc1.CNc1nc(-c2cn[nH]c2)c(CO)s1.
What is the InChIKey of ethylbenzene;[2-(methylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is QRMQLNUEYNODEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS.C8H10/c1-9-8-12-7(6(4-13)14-8)5-2-10-11-3-5;1-2-8-6-4-3-5-7-8/h2-3,13H,4H2,1H3,(H,9,12)(H,10,11);3-7H,2H2,1H3.
What are the key properties of ethylbenzene;[2-(methylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]methanol?
ethylbenzene;[2-(methylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 316.43 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;[2-(methylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 91596649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).