4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine

C18H21N5OS — CID 155990353

IUPAC4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(C3CCCN3Cc3coc(C)n3)cs2)nc1
InChIInChI=1S/C18H21N5OS/c1-12-5-6-17(19-8-12)22-18-21-15(11-25-18)16-4-3-7-23(16)9-14-10-24-13(2)20-14/h5-6,8,10-11,16H,3-4,7,9H2,1-2H3,(H,19,21,22)
InChIKeyPPJMFMNOXXWVQT-UHFFFAOYSA-N
MW355.47 g/mol
LogP4.22
Rot. Bonds5

About 4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine

4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 155990353) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID155990353
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(C3CCCN3Cc3coc(C)n3)cs2)nc1
InChIInChI=1S/C18H21N5OS/c1-12-5-6-17(19-8-12)22-18-21-15(11-25-18)16-4-3-7-23(16)9-14-10-24-13(2)20-14/h5-6,8,10-11,16H,3-4,7,9H2,1-2H3,(H,19,21,22)
InChIKeyPPJMFMNOXXWVQT-UHFFFAOYSA-N
XLogP4.22
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 155990353) is 4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(C3CCCN3Cc3coc(C)n3)cs2)nc1.
What is the InChIKey of 4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is PPJMFMNOXXWVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-12-5-6-17(19-8-12)22-18-21-15(11-25-18)16-4-3-7-23(16)9-14-10-24-13(2)20-14/h5-6,8,10-11,16H,3-4,7,9H2,1-2H3,(H,19,21,22).
What are the key properties of 4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 355.47 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 155990353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).