4-[5-(aminomethyl)-4-(2-methylpropyl)-1,3-thiazol-2-yl]phenol

C14H18N2OS — CID 136889282

IUPAC4-[5-(aminomethyl)-4-(2-methylpropyl)-1,3-thiazol-2-yl]phenol
SMILESCC(C)Cc1nc(-c2ccc(O)cc2)sc1CN
InChIInChI=1S/C14H18N2OS/c1-9(2)7-12-13(8-15)18-14(16-12)10-3-5-11(17)6-4-10/h3-6,9,17H,7-8,15H2,1-2H3
InChIKeyNOTOSGRPFNPMQU-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.17
Rot. Bonds4

About 4-[5-(aminomethyl)-4-(2-methylpropyl)-1,3-thiazol-2-yl]phenol

4-[5-(aminomethyl)-4-(2-methylpropyl)-1,3-thiazol-2-yl]phenol (PubChem CID 136889282) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-[5-(aminomethyl)-4-(2-methylpropyl)-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(aminomethyl)-4-(2-methylpropyl)-1,3-thiazol-2-yl]phenol
PubChem CID136889282
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name4-[5-(aminomethyl)-4-(2-methylpropyl)-1,3-thiazol-2-yl]phenol
SMILESCC(C)Cc1nc(-c2ccc(O)cc2)sc1CN
InChIInChI=1S/C14H18N2OS/c1-9(2)7-12-13(8-15)18-14(16-12)10-3-5-11(17)6-4-10/h3-6,9,17H,7-8,15H2,1-2H3
InChIKeyNOTOSGRPFNPMQU-UHFFFAOYSA-N
XLogP3.17
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]phenol
CID 136889279
[4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine
CID 114362218
[4-(2-methylpropyl)-2-(4-methylthiophen-3-yl)-1,3-thiazol-5-yl]methanamine
CID 114362054
[4-(2-methylpropyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 107920989
2-[4-(aminomethyl)phenyl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114358886
[4-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methanamine
CID 114362055
[2-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362030
[2-(3-ethyl-4-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362110
[2-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362007
N-[[2-(4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368957
[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362062
4-[5-(4-hydroxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenol
CID 716380

Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)-4-(2-methylpropyl)-1,3-thiazol-2-yl]phenol?
The IUPAC name of 4-[5-(aminomethyl)-4-(2-methylpropyl)-1,3-thiazol-2-yl]phenol (CID 136889282) is 4-[5-(aminomethyl)-4-(2-methylpropyl)-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 4-[5-(aminomethyl)-4-(2-methylpropyl)-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 4-[5-(aminomethyl)-4-(2-methylpropyl)-1,3-thiazol-2-yl]phenol is CC(C)Cc1nc(-c2ccc(O)cc2)sc1CN.
What is the InChIKey of 4-[5-(aminomethyl)-4-(2-methylpropyl)-1,3-thiazol-2-yl]phenol?
The InChIKey is NOTOSGRPFNPMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9(2)7-12-13(8-15)18-14(16-12)10-3-5-11(17)6-4-10/h3-6,9,17H,7-8,15H2,1-2H3.
What are the key properties of 4-[5-(aminomethyl)-4-(2-methylpropyl)-1,3-thiazol-2-yl]phenol?
4-[5-(aminomethyl)-4-(2-methylpropyl)-1,3-thiazol-2-yl]phenol has a molecular weight of 262.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)-4-(2-methylpropyl)-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 136889282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).