N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine

C9H11ClN4OS — CID 86983931

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine
SMILESCc1cc(CN(C)Cc2nnsc2Cl)no1
InChIInChI=1S/C9H11ClN4OS/c1-6-3-7(12-15-6)4-14(2)5-8-9(10)16-13-11-8/h3H,4-5H2,1-2H3
InChIKeyUYOVKMXXDQLXDU-UHFFFAOYSA-N
MW258.73 g/mol
LogP2.12
Rot. Bonds4

About N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine

N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine (PubChem CID 86983931) has the molecular formula C9H11ClN4OS and a molecular weight of 258.73 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine
PubChem CID86983931
Molecular FormulaC9H11ClN4OS
Molecular Weight258.73 g/mol
Exact Mass258.03
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine
SMILESCc1cc(CN(C)Cc2nnsc2Cl)no1
InChIInChI=1S/C9H11ClN4OS/c1-6-3-7(12-15-6)4-14(2)5-8-9(10)16-13-11-8/h3H,4-5H2,1-2H3
InChIKeyUYOVKMXXDQLXDU-UHFFFAOYSA-N
XLogP2.12
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine with MolForge

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Related Compounds

N-methyl-1-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 36967982
[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenyl]methanol
CID 110008128
5-chloro-2-methoxy-4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenol
CID 126840898
1-(2,3-difluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 51079483
2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 46614779
N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylethanamine
CID 43408555
1-(1,1-dioxothian-4-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 127669354
methyl 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]acetate
CID 60691499
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63265603
7-chloro-2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 47026029
1-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916389
N,5,6-trimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridazin-3-amine
CID 133489512

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine (CID 86983931) is N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine is Cc1cc(CN(C)Cc2nnsc2Cl)no1.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine?
The InChIKey is UYOVKMXXDQLXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4OS/c1-6-3-7(12-15-6)4-14(2)5-8-9(10)16-13-11-8/h3H,4-5H2,1-2H3.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine?
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine has a molecular weight of 258.73 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine is sourced from PubChem (CID 86983931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).