N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine

C16H25N5S — CID 128992558

IUPACN-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncsc1CN(C)CC1CCN(Cc2cncn2C)C1
InChIInChI=1S/C16H25N5S/c1-13-16(22-12-18-13)10-19(2)7-14-4-5-21(8-14)9-15-6-17-11-20(15)3/h6,11-12,14H,4-5,7-10H2,1-3H3
InChIKeyJNQOIGMOXYCQEW-UHFFFAOYSA-N
MW319.48 g/mol
LogP2.14
Rot. Bonds6

About N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine

N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 128992558) has the molecular formula C16H25N5S and a molecular weight of 319.48 g/mol. Its IUPAC name is N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID128992558
Molecular FormulaC16H25N5S
Molecular Weight319.48 g/mol
Exact Mass319.18
IUPAC NameN-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncsc1CN(C)CC1CCN(Cc2cncn2C)C1
InChIInChI=1S/C16H25N5S/c1-13-16(22-12-18-13)10-19(2)7-14-4-5-21(8-14)9-15-6-17-11-20(15)3/h6,11-12,14H,4-5,7-10H2,1-3H3
InChIKeyJNQOIGMOXYCQEW-UHFFFAOYSA-N
XLogP2.14
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[(3S)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 129403624
4-[[3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]methyl]benzamide
CID 128992640
1-[1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 128998837
(1,3-dimethylpyrazol-4-yl)-[3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]methanone
CID 129007520
2-methyl-1-[(3S)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]propan-1-one
CID 129400908
1-[(3R)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-3-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 100733850
(3S)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 129400802
(2-methyl-1H-imidazol-5-yl)-[(3S)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]methanone
CID 129477463
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 95364029
[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanol
CID 66141579
1-[6-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]-3-pyridinyl]ethanone
CID 100694485
1-[(3R)-1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 164633249

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (CID 128992558) is N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is Cc1ncsc1CN(C)CC1CCN(Cc2cncn2C)C1.
What is the InChIKey of N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is JNQOIGMOXYCQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5S/c1-13-16(22-12-18-13)10-19(2)7-14-4-5-21(8-14)9-15-6-17-11-20(15)3/h6,11-12,14H,4-5,7-10H2,1-3H3.
What are the key properties of N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 319.48 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 128992558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).