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

C18H22N6S — CID 110111543

IUPAC4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(C3CCCN3Cc3cnn(C)c3)cs2)nc1
InChIInChI=1S/C18H22N6S/c1-13-5-6-17(19-8-13)22-18-21-15(12-25-18)16-4-3-7-24(16)11-14-9-20-23(2)10-14/h5-6,8-10,12,16H,3-4,7,11H2,1-2H3,(H,19,21,22)
InChIKeyHNZWIAXVGHXMMC-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.66
Rot. Bonds5

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

4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 110111543) has the molecular formula C18H22N6S and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID110111543
Molecular FormulaC18H22N6S
Molecular Weight354.48 g/mol
Exact Mass354.16
IUPAC Name4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(C3CCCN3Cc3cnn(C)c3)cs2)nc1
InChIInChI=1S/C18H22N6S/c1-13-5-6-17(19-8-13)22-18-21-15(12-25-18)16-4-3-7-24(16)11-14-9-20-23(2)10-14/h5-6,8-10,12,16H,3-4,7,11H2,1-2H3,(H,19,21,22)
InChIKeyHNZWIAXVGHXMMC-UHFFFAOYSA-N
XLogP3.66
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 110111543) is 4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(C3CCCN3Cc3cnn(C)c3)cs2)nc1.
What is the InChIKey of 4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is HNZWIAXVGHXMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6S/c1-13-5-6-17(19-8-13)22-18-21-15(12-25-18)16-4-3-7-24(16)11-14-9-20-23(2)10-14/h5-6,8-10,12,16H,3-4,7,11H2,1-2H3,(H,19,21,22).
What are the key properties of 4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 354.48 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 110111543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).