2-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile

C14H15N5S — CID 21132139

IUPAC2-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
SMILESN#Cc1cnc(Nc2ccc(CN3CCCC3)cn2)s1
InChIInChI=1S/C14H15N5S/c15-7-12-9-17-14(20-12)18-13-4-3-11(8-16-13)10-19-5-1-2-6-19/h3-4,8-9H,1-2,5-6,10H2,(H,16,17,18)
InChIKeyUFIYSFYNVFGJNF-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.75
Rot. Bonds4

About 2-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile

2-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile (PubChem CID 21132139) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
PubChem CID21132139
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name2-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
SMILESN#Cc1cnc(Nc2ccc(CN3CCCC3)cn2)s1
InChIInChI=1S/C14H15N5S/c15-7-12-9-17-14(20-12)18-13-4-3-11(8-16-13)10-19-5-1-2-6-19/h3-4,8-9H,1-2,5-6,10H2,(H,16,17,18)
InChIKeyUFIYSFYNVFGJNF-UHFFFAOYSA-N
XLogP2.75
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile (CID 21132139) is 2-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile is N#Cc1cnc(Nc2ccc(CN3CCCC3)cn2)s1.
What is the InChIKey of 2-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The InChIKey is UFIYSFYNVFGJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c15-7-12-9-17-14(20-12)18-13-4-3-11(8-16-13)10-19-5-1-2-6-19/h3-4,8-9H,1-2,5-6,10H2,(H,16,17,18).
What are the key properties of 2-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
2-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile has a molecular weight of 285.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 21132139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).