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

C10H12ClN3OS — CID 103275061

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(5-ethyl-1,3-oxazol-2-yl)methanamine
SMILESCCc1cnc(CNCc2ncc(Cl)s2)o1
InChIInChI=1S/C10H12ClN3OS/c1-2-7-3-13-9(15-7)5-12-6-10-14-4-8(11)16-10/h3-4,12H,2,5-6H2,1H3
InChIKeyVOVXEFMGSVBHFJ-UHFFFAOYSA-N
MW257.75 g/mol
LogP2.64
Rot. Bonds5

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

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(5-ethyl-1,3-oxazol-2-yl)methanamine (PubChem CID 103275061) has the molecular formula C10H12ClN3OS and a molecular weight of 257.75 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(5-ethyl-1,3-oxazol-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(5-ethyl-1,3-oxazol-2-yl)methanamine
PubChem CID103275061
Molecular FormulaC10H12ClN3OS
Molecular Weight257.75 g/mol
Exact Mass257.04
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(5-ethyl-1,3-oxazol-2-yl)methanamine
SMILESCCc1cnc(CNCc2ncc(Cl)s2)o1
InChIInChI=1S/C10H12ClN3OS/c1-2-7-3-13-9(15-7)5-12-6-10-14-4-8(11)16-10/h3-4,12H,2,5-6H2,1H3
InChIKeyVOVXEFMGSVBHFJ-UHFFFAOYSA-N
XLogP2.64
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.75
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
CID 71868959
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]propan-2-amine
CID 72114614
(1S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 97825667
5-[(5-Tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazole-2-carboxamide
CID 71268171
5-Ethyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole
CID 142070055
2,5-Dimethyl-1,3-oxazole;2,5-dimethyl-1,3-thiazole;ethane
CID 144007727
2,5-Dimethyl-1,3-oxazole;2,5-dimethyl-1,3-thiazole
CID 144061929
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(5-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 75504795
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 75504861
(2S)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
CID 95901368
(2R)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
CID 95901369
(1R)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 97825668

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(5-ethyl-1,3-oxazol-2-yl)methanamine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(5-ethyl-1,3-oxazol-2-yl)methanamine (CID 103275061) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(5-ethyl-1,3-oxazol-2-yl)methanamine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(5-ethyl-1,3-oxazol-2-yl)methanamine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(5-ethyl-1,3-oxazol-2-yl)methanamine is CCc1cnc(CNCc2ncc(Cl)s2)o1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(5-ethyl-1,3-oxazol-2-yl)methanamine?
The InChIKey is VOVXEFMGSVBHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3OS/c1-2-7-3-13-9(15-7)5-12-6-10-14-4-8(11)16-10/h3-4,12H,2,5-6H2,1H3.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(5-ethyl-1,3-oxazol-2-yl)methanamine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(5-ethyl-1,3-oxazol-2-yl)methanamine has a molecular weight of 257.75 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(5-ethyl-1,3-oxazol-2-yl)methanamine is sourced from PubChem (CID 103275061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).