N'-[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine

C9H12N4OS — CID 167755506

IUPACN'-[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine
SMILESCc1ncoc1-c1csc(NCCN)n1
InChIInChI=1S/C9H12N4OS/c1-6-8(14-5-12-6)7-4-15-9(13-7)11-3-2-10/h4-5H,2-3,10H2,1H3,(H,11,13)
InChIKeyPIVUGLPUWDKWDI-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.48
Rot. Bonds4

About N'-[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine

N'-[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine (PubChem CID 167755506) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is N'-[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine
PubChem CID167755506
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC NameN'-[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine
SMILESCc1ncoc1-c1csc(NCCN)n1
InChIInChI=1S/C9H12N4OS/c1-6-8(14-5-12-6)7-4-15-9(13-7)11-3-2-10/h4-5H,2-3,10H2,1H3,(H,11,13)
InChIKeyPIVUGLPUWDKWDI-UHFFFAOYSA-N
XLogP1.48
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]amino]benzonitrile
CID 167929287
N-(6-chloro-3-pyridinyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine
CID 167885654
N-(3-methoxyphenyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine
CID 167993102
4-(2,6-difluorophenyl)-N-propyl-1,3-thiazol-2-amine
CID 60676021
4-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine
CID 62943868
N-ethyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 61020818
3-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)butane-1,3-diamine
CID 164648811
N'-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentane-1,5-diamine
CID 18440299
4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazol-2-amine
CID 106404327
N'-(4,7-dimethyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CID 82191548
N-ethyl-4-(5-methylthiophen-3-yl)-1,3-thiazol-2-amine
CID 131181990
4-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-propyl-1,3-thiazol-2-amine
CID 82515705

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine (CID 167755506) is N'-[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine is Cc1ncoc1-c1csc(NCCN)n1.
What is the InChIKey of N'-[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine?
The InChIKey is PIVUGLPUWDKWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-6-8(14-5-12-6)7-4-15-9(13-7)11-3-2-10/h4-5H,2-3,10H2,1H3,(H,11,13).
What are the key properties of N'-[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine?
N'-[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine has a molecular weight of 224.29 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 167755506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).