N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine

C11H17ClN2OS — CID 79764596

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
SMILESCN(Cc1cnc(Cl)s1)CC1CCCOC1
InChIInChI=1S/C11H17ClN2OS/c1-14(6-9-3-2-4-15-8-9)7-10-5-13-11(12)16-10/h5,9H,2-4,6-8H2,1H3
InChIKeyGQYNEEAVNMEONY-UHFFFAOYSA-N
MW260.79 g/mol
LogP2.65
Rot. Bonds4

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine (PubChem CID 79764596) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
PubChem CID79764596
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
SMILESCN(Cc1cnc(Cl)s1)CC1CCCOC1
InChIInChI=1S/C11H17ClN2OS/c1-14(6-9-3-2-4-15-8-9)7-10-5-13-11(12)16-10/h5,9H,2-4,6-8H2,1H3
InChIKeyGQYNEEAVNMEONY-UHFFFAOYSA-N
XLogP2.65
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 71642202
N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556893
5-[[methyl(oxan-3-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
CID 63711460
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 63713066
2-methyl-N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 63705981
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylcyclopropanamine
CID 79765082
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-[(3R)-oxan-3-yl]methanamine
CID 124548892
N-methyl-3-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridin-2-amine
CID 63711795
N-methyl-1-(oxan-3-yl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine
CID 91842915
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-(oxan-3-yl)methanamine
CID 63706482
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
N-methyl-1-[(3R)-oxan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
CID 125180092

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine (CID 79764596) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine is CN(Cc1cnc(Cl)s1)CC1CCCOC1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine?
The InChIKey is GQYNEEAVNMEONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2OS/c1-14(6-9-3-2-4-15-8-9)7-10-5-13-11(12)16-10/h5,9H,2-4,6-8H2,1H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine has a molecular weight of 260.79 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 79764596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).