N,4-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-amine

C14H14N4OS — CID 70757916

IUPACN,4-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1csc(N(C)Cc2nc(-c3ccccc3)no2)n1
InChIInChI=1S/C14H14N4OS/c1-10-9-20-14(15-10)18(2)8-12-16-13(17-19-12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKeyWTXHGDGEKCJGJP-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.14
Rot. Bonds4

About N,4-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-amine

N,4-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 70757916) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N,4-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-amine
PubChem CID70757916
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN,4-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1csc(N(C)Cc2nc(-c3ccccc3)no2)n1
InChIInChI=1S/C14H14N4OS/c1-10-9-20-14(15-10)18(2)8-12-16-13(17-19-12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKeyWTXHGDGEKCJGJP-UHFFFAOYSA-N
XLogP3.14
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-2-amine
CID 8593214
5-[3-[(R)-(4-methyl-1,3-thiazol-2-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole
CID 99832911
3,4-difluoro-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 86831668
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 66188094
N,3,4-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6462643
5-[(3-methylpyrazol-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole
CID 19324446
4-methoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6461980
1-(3,4-dichlorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 9251541
3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895143
(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 95136032
5-benzyl-3-phenyl-1,2,4-oxadiazole
CID 752274
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]phenothiazine-10-carboxamide
CID 8875016

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,4-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-amine (CID 70757916) is N,4-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-amine is Cc1csc(N(C)Cc2nc(-c3ccccc3)no2)n1.
What is the InChIKey of N,4-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is WTXHGDGEKCJGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-10-9-20-14(15-10)18(2)8-12-16-13(17-19-12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3.
What are the key properties of N,4-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-amine?
N,4-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 286.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 70757916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).