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

C17H20N6S — CID 91800755

IUPACN-(5-methyl-2-pyridinyl)-4-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(C3CCCN3Cc3ccn[nH]3)cs2)nc1
InChIInChI=1S/C17H20N6S/c1-12-4-5-16(18-9-12)21-17-20-14(11-24-17)15-3-2-8-23(15)10-13-6-7-19-22-13/h4-7,9,11,15H,2-3,8,10H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyWLBJBAVVSZPNAN-UHFFFAOYSA-N
MW340.46 g/mol
LogP3.65
Rot. Bonds5

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

N-(5-methyl-2-pyridinyl)-4-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine (PubChem CID 91800755) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-4-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-4-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
PubChem CID91800755
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC NameN-(5-methyl-2-pyridinyl)-4-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(C3CCCN3Cc3ccn[nH]3)cs2)nc1
InChIInChI=1S/C17H20N6S/c1-12-4-5-16(18-9-12)21-17-20-14(11-24-17)15-3-2-8-23(15)10-13-6-7-19-22-13/h4-7,9,11,15H,2-3,8,10H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyWLBJBAVVSZPNAN-UHFFFAOYSA-N
XLogP3.65
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-4-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-(5-methyl-2-pyridinyl)-4-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine (CID 91800755) is N-(5-methyl-2-pyridinyl)-4-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-4-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-4-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(C3CCCN3Cc3ccn[nH]3)cs2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-4-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is WLBJBAVVSZPNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-12-4-5-16(18-9-12)21-17-20-14(11-24-17)15-3-2-8-23(15)10-13-6-7-19-22-13/h4-7,9,11,15H,2-3,8,10H2,1H3,(H,19,22)(H,18,20,21).
What are the key properties of N-(5-methyl-2-pyridinyl)-4-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine?
N-(5-methyl-2-pyridinyl)-4-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 340.46 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-4-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 91800755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).