N-[1-(4-methylphenoxy)propan-2-yl]-1,3-thiazol-2-amine

C13H16N2OS — CID 61166762

IUPACN-[1-(4-methylphenoxy)propan-2-yl]-1,3-thiazol-2-amine
SMILESCc1ccc(OCC(C)Nc2nccs2)cc1
InChIInChI=1S/C13H16N2OS/c1-10-3-5-12(6-4-10)16-9-11(2)15-13-14-7-8-17-13/h3-8,11H,9H2,1-2H3,(H,14,15)
InChIKeyBGTQTJMKPOERAF-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.33
Rot. Bonds5

About N-[1-(4-methylphenoxy)propan-2-yl]-1,3-thiazol-2-amine

N-[1-(4-methylphenoxy)propan-2-yl]-1,3-thiazol-2-amine (PubChem CID 61166762) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[1-(4-methylphenoxy)propan-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-methylphenoxy)propan-2-yl]-1,3-thiazol-2-amine
PubChem CID61166762
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-[1-(4-methylphenoxy)propan-2-yl]-1,3-thiazol-2-amine
SMILESCc1ccc(OCC(C)Nc2nccs2)cc1
InChIInChI=1S/C13H16N2OS/c1-10-3-5-12(6-4-10)16-9-11(2)15-13-14-7-8-17-13/h3-8,11H,9H2,1-2H3,(H,14,15)
InChIKeyBGTQTJMKPOERAF-UHFFFAOYSA-N
XLogP3.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine
CID 43079498
5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]-1,3,4-thiadiazol-2-amine
CID 65209436
N-[1-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-amine
CID 79046617
N-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazol-2-amine
CID 78978381
N-propan-2-yl-1,3-thiazol-2-amine
CID 2160964
4-ethoxy-N-[1-(4-methylphenoxy)propan-2-yl]pyrimidin-2-amine
CID 115974641
N-[1-(4-methylphenoxy)propan-2-yl]furo[3,2-c]pyridin-4-amine
CID 103911732
4-ethoxy-5-N-[1-(4-methylphenoxy)propan-2-yl]-1,2-thiazole-3,5-diamine
CID 103359367
5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]hexan-2-amine
CID 63452663
1-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 95192938
2-[1-(4-methylphenoxy)propan-2-ylamino]pyridine-3-carboxamide
CID 61166764
2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol
CID 61166956

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenoxy)propan-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(4-methylphenoxy)propan-2-yl]-1,3-thiazol-2-amine (CID 61166762) is N-[1-(4-methylphenoxy)propan-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(4-methylphenoxy)propan-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(4-methylphenoxy)propan-2-yl]-1,3-thiazol-2-amine is Cc1ccc(OCC(C)Nc2nccs2)cc1.
What is the InChIKey of N-[1-(4-methylphenoxy)propan-2-yl]-1,3-thiazol-2-amine?
The InChIKey is BGTQTJMKPOERAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10-3-5-12(6-4-10)16-9-11(2)15-13-14-7-8-17-13/h3-8,11H,9H2,1-2H3,(H,14,15).
What are the key properties of N-[1-(4-methylphenoxy)propan-2-yl]-1,3-thiazol-2-amine?
N-[1-(4-methylphenoxy)propan-2-yl]-1,3-thiazol-2-amine has a molecular weight of 248.35 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenoxy)propan-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 61166762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).