(2-ethyl-1,3-thiazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

C16H20N4OS — CID 48573234

IUPAC(2-ethyl-1,3-thiazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCN(Cc3ccncc3)CC2)s1
InChIInChI=1S/C16H20N4OS/c1-2-15-18-11-14(22-15)16(21)20-9-7-19(8-10-20)12-13-3-5-17-6-4-13/h3-6,11H,2,7-10,12H2,1H3
InChIKeyVXVFIWOLKDIJMK-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.06
Rot. Bonds4

About (2-ethyl-1,3-thiazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

(2-ethyl-1,3-thiazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 48573234) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is (2-ethyl-1,3-thiazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-1,3-thiazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID48573234
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name(2-ethyl-1,3-thiazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCN(Cc3ccncc3)CC2)s1
InChIInChI=1S/C16H20N4OS/c1-2-15-18-11-14(22-15)16(21)20-9-7-19(8-10-20)12-13-3-5-17-6-4-13/h3-6,11H,2,7-10,12H2,1H3
InChIKeyVXVFIWOLKDIJMK-UHFFFAOYSA-N
XLogP2.06
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethyl-1,3-thiazol-5-yl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
CID 95346732
[4-(2-ethyl-1,3-thiazole-5-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 86847767
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226250
[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226422
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
(1-benzylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226790
(2,5-dichlorothiophen-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856983
(2-ethyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 95143740
[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 31370374
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 10180603
(1-phenylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226792

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,3-thiazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-ethyl-1,3-thiazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (CID 48573234) is (2-ethyl-1,3-thiazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-1,3-thiazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-ethyl-1,3-thiazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is CCc1ncc(C(=O)N2CCN(Cc3ccncc3)CC2)s1.
What is the InChIKey of (2-ethyl-1,3-thiazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is VXVFIWOLKDIJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-2-15-18-11-14(22-15)16(21)20-9-7-19(8-10-20)12-13-3-5-17-6-4-13/h3-6,11H,2,7-10,12H2,1H3.
What are the key properties of (2-ethyl-1,3-thiazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
(2-ethyl-1,3-thiazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 316.43 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,3-thiazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 48573234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).