2-[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]propan-2-amine

C14H18N2OS — CID 82440030

IUPAC2-[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]propan-2-amine
SMILESCOCc1nc(-c2ccccc2)sc1C(C)(C)N
InChIInChI=1S/C14H18N2OS/c1-14(2,15)12-11(9-17-3)16-13(18-12)10-7-5-4-6-8-10/h4-8H,9,15H2,1-3H3
InChIKeyVPDQBGHVNAQZFD-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.15
Rot. Bonds4

About 2-[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]propan-2-amine

2-[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 82440030) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]propan-2-amine
PubChem CID82440030
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]propan-2-amine
SMILESCOCc1nc(-c2ccccc2)sc1C(C)(C)N
InChIInChI=1S/C14H18N2OS/c1-14(2,15)12-11(9-17-3)16-13(18-12)10-7-5-4-6-8-10/h4-8H,9,15H2,1-3H3
InChIKeyVPDQBGHVNAQZFD-UHFFFAOYSA-N
XLogP3.15
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-ethyl-2-(4-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82430074
2-[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82440536
2-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82428618
2-[2-(3,4-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-amine
CID 82430183
2-[2-(furan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82441357
2-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82430111
N-[[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82440020
2-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432590
benzyl 5-tert-butyl-2-phenyl-1,3-thiazole-4-carboxylate
CID 44557232
2-(4-tert-butylphenyl)-4-(methoxymethyl)-1,3-thiazole-5-carbonitrile
CID 82441245
2-(4-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114358831
4-ethyl-2-phenyl-1,3-thiazol-5-amine
CID 62076991

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]propan-2-amine (CID 82440030) is 2-[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]propan-2-amine is COCc1nc(-c2ccccc2)sc1C(C)(C)N.
What is the InChIKey of 2-[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is VPDQBGHVNAQZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-14(2,15)12-11(9-17-3)16-13(18-12)10-7-5-4-6-8-10/h4-8H,9,15H2,1-3H3.
What are the key properties of 2-[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]propan-2-amine?
2-[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 262.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 82440030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).