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

C9H13N3OS — CID 79237638

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1noc(C)c1CNC1=NCCS1
InChIInChI=1S/C9H13N3OS/c1-6-8(7(2)13-12-6)5-11-9-10-3-4-14-9/h3-5H2,1-2H3,(H,10,11)
InChIKeyCZUBZEDNYOIZFW-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.48
Rot. Bonds2

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 79237638) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID79237638
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1noc(C)c1CNC1=NCCS1
InChIInChI=1S/C9H13N3OS/c1-6-8(7(2)13-12-6)5-11-9-10-3-4-14-9/h3-5H2,1-2H3,(H,10,11)
InChIKeyCZUBZEDNYOIZFW-UHFFFAOYSA-N
XLogP1.48
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 79238240
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79503728
4,6-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,5-triazin-2-amine
CID 79237881
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 79242359
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 47005068
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-amine
CID 43539826
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305036
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylpyrazin-2-amine
CID 114475971
N-[(2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 82678591
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methylpyridazin-3-amine
CID 79242277
(3,5-dimethyl-1,2-oxazol-4-yl)methylcyanamide
CID 79242568

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 79237638) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is Cc1noc(C)c1CNC1=NCCS1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CZUBZEDNYOIZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-6-8(7(2)13-12-6)5-11-9-10-3-4-14-9/h3-5H2,1-2H3,(H,10,11).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 211.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 79237638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).