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

C16H22N4S — CID 86773888

IUPAC5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESCc1ccc(NCC2CCN(Cc3cnc(C)s3)C2)nc1
InChIInChI=1S/C16H22N4S/c1-12-3-4-16(18-7-12)19-8-14-5-6-20(10-14)11-15-9-17-13(2)21-15/h3-4,7,9,14H,5-6,8,10-11H2,1-2H3,(H,18,19)
InChIKeyPTMXWCKIPYTARM-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.09
Rot. Bonds5

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

5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine (PubChem CID 86773888) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
PubChem CID86773888
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESCc1ccc(NCC2CCN(Cc3cnc(C)s3)C2)nc1
InChIInChI=1S/C16H22N4S/c1-12-3-4-16(18-7-12)19-8-14-5-6-20(10-14)11-15-9-17-13(2)21-15/h3-4,7,9,14H,5-6,8,10-11H2,1-2H3,(H,18,19)
InChIKeyPTMXWCKIPYTARM-UHFFFAOYSA-N
XLogP3.09
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine?
The IUPAC name of 5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine (CID 86773888) is 5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for 5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine is Cc1ccc(NCC2CCN(Cc3cnc(C)s3)C2)nc1.
What is the InChIKey of 5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine?
The InChIKey is PTMXWCKIPYTARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-12-3-4-16(18-7-12)19-8-14-5-6-20(10-14)11-15-9-17-13(2)21-15/h3-4,7,9,14H,5-6,8,10-11H2,1-2H3,(H,18,19).
What are the key properties of 5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine?
5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine has a molecular weight of 302.45 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 86773888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).