formic acid;5-[[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole

C19H26N4O2S — CID 171712121

IUPACformic acid;5-[[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
SMILESO=CO.c1ccc(CC2CCN(Cc3cnc(N4CCCC4)s3)C2)nc1
InChIInChI=1S/C18H24N4S.CH2O2/c1-2-7-19-16(5-1)11-15-6-10-21(13-15)14-17-12-20-18(23-17)22-8-3-4-9-22;2-1-3/h1-2,5,7,12,15H,3-4,6,8-11,13-14H2;1H,(H,2,3)
InChIKeyWZZMUQDKADOLTD-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.90
Rot. Bonds5

About formic acid;5-[[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole

formic acid;5-[[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole (PubChem CID 171712121) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is formic acid;5-[[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Nameformic acid;5-[[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
PubChem CID171712121
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Nameformic acid;5-[[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
SMILESO=CO.c1ccc(CC2CCN(Cc3cnc(N4CCCC4)s3)C2)nc1
InChIInChI=1S/C18H24N4S.CH2O2/c1-2-7-19-16(5-1)11-15-6-10-21(13-15)14-17-12-20-18(23-17)22-8-3-4-9-22;2-1-3/h1-2,5,7,12,15H,3-4,6,8-11,13-14H2;1H,(H,2,3)
InChIKeyWZZMUQDKADOLTD-UHFFFAOYSA-N
XLogP2.90
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[4-[[(3R)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 97118512
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 56914538
(3S,4R)-4-phenyl-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
CID 162625989
2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 95844895
(3R,4R)-4-(azepan-1-yl)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
CID 56853466
5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 99936999
formic acid;5-methyl-4-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 171325592
5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole
CID 118472763
N-[[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 131934364
[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-(4-phenylphenyl)methanone
CID 45231856
(3S,4R)-4-(pyridin-4-ylmethyl)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol
CID 134707152
5-[(3-benzylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120898543

Frequently Asked Questions

What is the IUPAC name of formic acid;5-[[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole?
The IUPAC name of formic acid;5-[[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole (CID 171712121) is formic acid;5-[[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole.
What is the SMILES notation for formic acid;5-[[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole?
The canonical SMILES for formic acid;5-[[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole is O=CO.c1ccc(CC2CCN(Cc3cnc(N4CCCC4)s3)C2)nc1.
What is the InChIKey of formic acid;5-[[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole?
The InChIKey is WZZMUQDKADOLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4S.CH2O2/c1-2-7-19-16(5-1)11-15-6-10-21(13-15)14-17-12-20-18(23-17)22-8-3-4-9-22;2-1-3/h1-2,5,7,12,15H,3-4,6,8-11,13-14H2;1H,(H,2,3).
What are the key properties of formic acid;5-[[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole?
formic acid;5-[[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole has a molecular weight of 374.51 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;5-[[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole is sourced from PubChem (CID 171712121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).