N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine

C18H24N4S — CID 128992917

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
SMILESCN1CC[C@@H](CNCc2nc3c(s2)CCC3)[C@@H]1c1cccnc1
InChIInChI=1S/C18H24N4S/c1-22-9-7-14(18(22)13-4-3-8-19-10-13)11-20-12-17-21-15-5-2-6-16(15)23-17/h3-4,8,10,14,18,20H,2,5-7,9,11-12H2,1H3/t14-,18-/m0/s1
InChIKeyBRWWDTDZOZFABB-KSSFIOAISA-N
MW328.49 g/mol
LogP2.81
Rot. Bonds5

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine (PubChem CID 128992917) has the molecular formula C18H24N4S and a molecular weight of 328.49 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
PubChem CID128992917
Molecular FormulaC18H24N4S
Molecular Weight328.49 g/mol
Exact Mass328.17
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
SMILESCN1CC[C@@H](CNCc2nc3c(s2)CCC3)[C@@H]1c1cccnc1
InChIInChI=1S/C18H24N4S/c1-22-9-7-14(18(22)13-4-3-8-19-10-13)11-20-12-17-21-15-5-2-6-16(15)23-17/h3-4,8,10,14,18,20H,2,5-7,9,11-12H2,1H3/t14-,18-/m0/s1
InChIKeyBRWWDTDZOZFABB-KSSFIOAISA-N
XLogP2.81
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine with MolForge

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Related Compounds

1-cyclohexyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]methanamine
CID 128997853
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 128967268
N-[(2-methylpyrazol-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 128997727
6-methyl-2-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol
CID 128968917
[5-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]furan-2-yl]methanol
CID 129004287
N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 128997330
N-(1H-indazol-6-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 128992092
1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]methanamine
CID 129000980
N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 128997444
[(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 13292843
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 128967213
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 129006334

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine (CID 128992917) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine is CN1CC[C@@H](CNCc2nc3c(s2)CCC3)[C@@H]1c1cccnc1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine?
The InChIKey is BRWWDTDZOZFABB-KSSFIOAISA-N. The full InChI is InChI=1S/C18H24N4S/c1-22-9-7-14(18(22)13-4-3-8-19-10-13)11-20-12-17-21-15-5-2-6-16(15)23-17/h3-4,8,10,14,18,20H,2,5-7,9,11-12H2,1H3/t14-,18-/m0/s1.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine has a molecular weight of 328.49 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 128992917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).