N-[(5-chlorothiadiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)ethanamine

C10H16ClN3OS — CID 61434796

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCN(Cc1nnsc1Cl)CC1CCCO1
InChIInChI=1S/C10H16ClN3OS/c1-2-14(6-8-4-3-5-15-8)7-9-10(11)16-13-12-9/h8H,2-7H2,1H3
InChIKeyCLZULCUYVRTFGG-UHFFFAOYSA-N
MW261.78 g/mol
LogP2.19
Rot. Bonds5

About N-[(5-chlorothiadiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)ethanamine

N-[(5-chlorothiadiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 61434796) has the molecular formula C10H16ClN3OS and a molecular weight of 261.78 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID61434796
Molecular FormulaC10H16ClN3OS
Molecular Weight261.78 g/mol
Exact Mass261.07
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCN(Cc1nnsc1Cl)CC1CCCO1
InChIInChI=1S/C10H16ClN3OS/c1-2-14(6-8-4-3-5-15-8)7-9-10(11)16-13-12-9/h8H,2-7H2,1H3
InChIKeyCLZULCUYVRTFGG-UHFFFAOYSA-N
XLogP2.19
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.78
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 80614276
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 43458835
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62429825
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62431237
N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62894833
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 62182826
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]ethanamine
CID 124751200
N-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
CID 26316967
3-chloro-4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzenecarboximidamide
CID 102667814
N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62430173
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridine-2-carboximidamide
CID 62893872

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)ethanamine (CID 61434796) is N-[(5-chlorothiadiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)ethanamine is CCN(Cc1nnsc1Cl)CC1CCCO1.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is CLZULCUYVRTFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3OS/c1-2-14(6-8-4-3-5-15-8)7-9-10(11)16-13-12-9/h8H,2-7H2,1H3.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)ethanamine?
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 261.78 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiadiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 61434796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).