2-[[6-[[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile

C21H23N7S — CID 175659770

IUPAC2-[[6-[[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
SMILESCCc1ncc(CN2CCC(Cc3cccc(Nc4ncc(C#N)s4)n3)C2)cn1
InChIInChI=1S/C21H23N7S/c1-2-19-23-10-16(11-24-19)14-28-7-6-15(13-28)8-17-4-3-5-20(26-17)27-21-25-12-18(9-22)29-21/h3-5,10-12,15H,2,6-8,13-14H2,1H3,(H,25,26,27)
InChIKeyLEOMQFGJARRJQM-UHFFFAOYSA-N
MW405.53 g/mol
LogP3.57
Rot. Bonds7

About 2-[[6-[[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile

2-[[6-[[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile (PubChem CID 175659770) has the molecular formula C21H23N7S and a molecular weight of 405.53 g/mol. Its IUPAC name is 2-[[6-[[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[6-[[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
PubChem CID175659770
Molecular FormulaC21H23N7S
Molecular Weight405.53 g/mol
Exact Mass405.17
IUPAC Name2-[[6-[[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
SMILESCCc1ncc(CN2CCC(Cc3cccc(Nc4ncc(C#N)s4)n3)C2)cn1
InChIInChI=1S/C21H23N7S/c1-2-19-23-10-16(11-24-19)14-28-7-6-15(13-28)8-17-4-3-5-20(26-17)27-21-25-12-18(9-22)29-21/h3-5,10-12,15H,2,6-8,13-14H2,1H3,(H,25,26,27)
InChIKeyLEOMQFGJARRJQM-UHFFFAOYSA-N
XLogP3.57
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[6-[[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-N-pyridin-2-ylpyridin-2-amine
CID 175659323
6-[[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine
CID 175659951
2-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
CID 132778397
2-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
CID 21132139
2-[[4-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
CID 18506929
N-[6-[(1-benzylpiperidin-3-yl)methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
CID 175659781
5-methyl-N-[6-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 155906903
2-[[6-[1-[(2-butyl-1H-imidazol-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
CID 132778416
6-[(1-benzylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 143653645
1-[(4R)-4-[[6-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]methyl]azepan-1-yl]ethanone
CID 129387128
1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-3-(2-ethylpyrimidin-5-yl)urea
CID 99839974
1-[[(3R)-1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-3-propan-2-ylurea
CID 95231138

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[6-[[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile (CID 175659770) is 2-[[6-[[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[6-[[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[6-[[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile is CCc1ncc(CN2CCC(Cc3cccc(Nc4ncc(C#N)s4)n3)C2)cn1.
What is the InChIKey of 2-[[6-[[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The InChIKey is LEOMQFGJARRJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7S/c1-2-19-23-10-16(11-24-19)14-28-7-6-15(13-28)8-17-4-3-5-20(26-17)27-21-25-12-18(9-22)29-21/h3-5,10-12,15H,2,6-8,13-14H2,1H3,(H,25,26,27).
What are the key properties of 2-[[6-[[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
2-[[6-[[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile has a molecular weight of 405.53 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 175659770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).