N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-3-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine

C16H27N3OS — CID 120845048

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-3-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine
SMILESCc1ncsc1CN(CCC1CCOC1)CC1CCNC1
InChIInChI=1S/C16H27N3OS/c1-13-16(21-12-18-13)10-19(9-15-2-5-17-8-15)6-3-14-4-7-20-11-14/h12,14-15,17H,2-11H2,1H3
InChIKeyZHKSVBFVGWGNJV-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.29
Rot. Bonds7

About N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-3-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-3-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine (PubChem CID 120845048) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-3-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-3-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine
PubChem CID120845048
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-3-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine
SMILESCc1ncsc1CN(CCC1CCOC1)CC1CCNC1
InChIInChI=1S/C16H27N3OS/c1-13-16(21-12-18-13)10-19(9-15-2-5-17-8-15)6-3-14-4-7-20-11-14/h12,14-15,17H,2-11H2,1H3
InChIKeyZHKSVBFVGWGNJV-UHFFFAOYSA-N
XLogP2.29
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 128999065
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 95364029
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 129324317
2-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 120967037
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 129340135
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 129466373
N-[(3-chlorothiophen-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride
CID 120845031
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 129008081
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 128995027
N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 129465620
N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 128970204
N-[(4-methyl-3-pyridinyl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride
CID 120845039

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-3-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-3-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine (CID 120845048) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-3-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-3-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-3-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine is Cc1ncsc1CN(CCC1CCOC1)CC1CCNC1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-3-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine?
The InChIKey is ZHKSVBFVGWGNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-13-16(21-12-18-13)10-19(9-15-2-5-17-8-15)6-3-14-4-7-20-11-14/h12,14-15,17H,2-11H2,1H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-3-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-3-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine has a molecular weight of 309.48 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-3-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 120845048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).