(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone

C18H24N4OS — CID 72896278

IUPAC(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
SMILESCc1nc(C(C)C)sc1C(=O)N1CCC(Nc2ccccn2)CC1
InChIInChI=1S/C18H24N4OS/c1-12(2)17-20-13(3)16(24-17)18(23)22-10-7-14(8-11-22)21-15-6-4-5-9-19-15/h4-6,9,12,14H,7-8,10-11H2,1-3H3,(H,19,21)
InChIKeyIZKBEAFPAVXQLQ-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.69
Rot. Bonds4

About (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone

(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone (PubChem CID 72896278) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
PubChem CID72896278
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
SMILESCc1nc(C(C)C)sc1C(=O)N1CCC(Nc2ccccn2)CC1
InChIInChI=1S/C18H24N4OS/c1-12(2)17-20-13(3)16(24-17)18(23)22-10-7-14(8-11-22)21-15-6-4-5-9-19-15/h4-6,9,12,14H,7-8,10-11H2,1-3H3,(H,19,21)
InChIKeyIZKBEAFPAVXQLQ-UHFFFAOYSA-N
XLogP3.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone?
The IUPAC name of (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone (CID 72896278) is (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone is Cc1nc(C(C)C)sc1C(=O)N1CCC(Nc2ccccn2)CC1.
What is the InChIKey of (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone?
The InChIKey is IZKBEAFPAVXQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-12(2)17-20-13(3)16(24-17)18(23)22-10-7-14(8-11-22)21-15-6-4-5-9-19-15/h4-6,9,12,14H,7-8,10-11H2,1-3H3,(H,19,21).
What are the key properties of (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone?
(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone has a molecular weight of 344.48 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 72896278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).