2-[[4-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]amino]pyridine-4-carbonitrile

C19H18N6S — CID 132770960

IUPAC2-[[4-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2nc(C3CCCN3Cc3ccncc3)cs2)c1
InChIInChI=1S/C19H18N6S/c20-11-15-5-8-22-18(10-15)24-19-23-16(13-26-19)17-2-1-9-25(17)12-14-3-6-21-7-4-14/h3-8,10,13,17H,1-2,9,12H2,(H,22,23,24)
InChIKeyIOAVMELIFDNIAS-UHFFFAOYSA-N
MW362.46 g/mol
LogP3.89
Rot. Bonds5

About 2-[[4-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]amino]pyridine-4-carbonitrile

2-[[4-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]amino]pyridine-4-carbonitrile (PubChem CID 132770960) has the molecular formula C19H18N6S and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-[[4-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[4-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]amino]pyridine-4-carbonitrile
PubChem CID132770960
Molecular FormulaC19H18N6S
Molecular Weight362.46 g/mol
Exact Mass362.13
IUPAC Name2-[[4-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2nc(C3CCCN3Cc3ccncc3)cs2)c1
InChIInChI=1S/C19H18N6S/c20-11-15-5-8-22-18(10-15)24-19-23-16(13-26-19)17-2-1-9-25(17)12-14-3-6-21-7-4-14/h3-8,10,13,17H,1-2,9,12H2,(H,22,23,24)
InChIKeyIOAVMELIFDNIAS-UHFFFAOYSA-N
XLogP3.89
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-pyridin-2-yl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 155986742
N-[6-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95820339
4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 110111543
N-[4-[1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 110267234
2-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 110270492
2-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 118740364
N-[4-[(2S)-1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 95837562
N-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 110255606
N-(5-methyl-2-pyridinyl)-4-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 124973071
N-methyl-2-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 175655316
3-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propanoic acid
CID 110270511
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 73440222

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[[4-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]amino]pyridine-4-carbonitrile (CID 132770960) is 2-[[4-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[4-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[4-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]amino]pyridine-4-carbonitrile is N#Cc1ccnc(Nc2nc(C3CCCN3Cc3ccncc3)cs2)c1.
What is the InChIKey of 2-[[4-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]amino]pyridine-4-carbonitrile?
The InChIKey is IOAVMELIFDNIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6S/c20-11-15-5-8-22-18(10-15)24-19-23-16(13-26-19)17-2-1-9-25(17)12-14-3-6-21-7-4-14/h3-8,10,13,17H,1-2,9,12H2,(H,22,23,24).
What are the key properties of 2-[[4-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]amino]pyridine-4-carbonitrile?
2-[[4-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]amino]pyridine-4-carbonitrile has a molecular weight of 362.46 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 132770960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).