N-[2-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]-6-methyl-4-pyridinyl]-1,3-thiazol-2-amine

C23H26N6S — CID 110093545

IUPACN-[2-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]-6-methyl-4-pyridinyl]-1,3-thiazol-2-amine
SMILESCCn1c(CN2CCC(c3cc(Nc4nccs4)cc(C)n3)C2)nc2ccccc21
InChIInChI=1S/C23H26N6S/c1-3-29-21-7-5-4-6-19(21)27-22(29)15-28-10-8-17(14-28)20-13-18(12-16(2)25-20)26-23-24-9-11-30-23/h4-7,9,11-13,17H,3,8,10,14-15H2,1-2H3,(H,24,25,26)
InChIKeyPOMXOROOVIRAGU-UHFFFAOYSA-N
MW418.57 g/mol
LogP4.95
Rot. Bonds6

About N-[2-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]-6-methyl-4-pyridinyl]-1,3-thiazol-2-amine

N-[2-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]-6-methyl-4-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 110093545) has the molecular formula C23H26N6S and a molecular weight of 418.57 g/mol. Its IUPAC name is N-[2-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]-6-methyl-4-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]-6-methyl-4-pyridinyl]-1,3-thiazol-2-amine
PubChem CID110093545
Molecular FormulaC23H26N6S
Molecular Weight418.57 g/mol
Exact Mass418.19
IUPAC NameN-[2-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]-6-methyl-4-pyridinyl]-1,3-thiazol-2-amine
SMILESCCn1c(CN2CCC(c3cc(Nc4nccs4)cc(C)n3)C2)nc2ccccc21
InChIInChI=1S/C23H26N6S/c1-3-29-21-7-5-4-6-19(21)27-22(29)15-28-10-8-17(14-28)20-13-18(12-16(2)25-20)26-23-24-9-11-30-23/h4-7,9,11-13,17H,3,8,10,14-15H2,1-2H3,(H,24,25,26)
InChIKeyPOMXOROOVIRAGU-UHFFFAOYSA-N
XLogP4.95
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-methyl-6-[1-(quinolin-5-ylmethyl)pyrrolidin-3-yl]-4-pyridinyl]-1,3-thiazol-2-amine
CID 110093562
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 124831271
1-[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 110093556
(1-methylpyrazol-3-yl)-[(3S)-3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124941665
N-[6-[4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 155984933
N-[2-methyl-6-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 124987053
1-ethyl-2-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]benzimidazole
CID 45204631
[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110093546
N,2-dimethyl-6-[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
CID 124958456
1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole
CID 125023444
2-[3-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 110093582
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124831148

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]-6-methyl-4-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[2-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]-6-methyl-4-pyridinyl]-1,3-thiazol-2-amine (CID 110093545) is N-[2-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]-6-methyl-4-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]-6-methyl-4-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]-6-methyl-4-pyridinyl]-1,3-thiazol-2-amine is CCn1c(CN2CCC(c3cc(Nc4nccs4)cc(C)n3)C2)nc2ccccc21.
What is the InChIKey of N-[2-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]-6-methyl-4-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is POMXOROOVIRAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6S/c1-3-29-21-7-5-4-6-19(21)27-22(29)15-28-10-8-17(14-28)20-13-18(12-16(2)25-20)26-23-24-9-11-30-23/h4-7,9,11-13,17H,3,8,10,14-15H2,1-2H3,(H,24,25,26).
What are the key properties of N-[2-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]-6-methyl-4-pyridinyl]-1,3-thiazol-2-amine?
N-[2-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]-6-methyl-4-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 418.57 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]-6-methyl-4-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 110093545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).