N-[6-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine

C18H22N6S — CID 110265170

IUPACN-[6-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1nn(C)cc1CN1CCCC1c1cccc(Nc2nccs2)n1
InChIInChI=1S/C18H22N6S/c1-13-14(11-23(2)22-13)12-24-9-4-6-16(24)15-5-3-7-17(20-15)21-18-19-8-10-25-18/h3,5,7-8,10-11,16H,4,6,9,12H2,1-2H3,(H,19,20,21)
InChIKeyVKQZIMAEAUYZJP-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.66
Rot. Bonds5

About N-[6-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine

N-[6-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 110265170) has the molecular formula C18H22N6S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[6-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID110265170
Molecular FormulaC18H22N6S
Molecular Weight354.48 g/mol
Exact Mass354.16
IUPAC NameN-[6-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1nn(C)cc1CN1CCCC1c1cccc(Nc2nccs2)n1
InChIInChI=1S/C18H22N6S/c1-13-14(11-23(2)22-13)12-24-9-4-6-16(24)15-5-3-7-17(20-15)21-18-19-8-10-25-18/h3,5,7-8,10-11,16H,4,6,9,12H2,1-2H3,(H,19,20,21)
InChIKeyVKQZIMAEAUYZJP-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 N-[6-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[6-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine (CID 110265170) is N-[6-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine is Cc1nn(C)cc1CN1CCCC1c1cccc(Nc2nccs2)n1.
What is the InChIKey of N-[6-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is VKQZIMAEAUYZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6S/c1-13-14(11-23(2)22-13)12-24-9-4-6-16(24)15-5-3-7-17(20-15)21-18-19-8-10-25-18/h3,5,7-8,10-11,16H,4,6,9,12H2,1-2H3,(H,19,20,21).
What are the key properties of N-[6-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine?
N-[6-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-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 N-[6-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 110265170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).