(1S,2S)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylbutan-1-amine

C15H20N2OS — CID 67292696

IUPAC(1S,2S)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylbutan-1-amine
SMILESCC[C@H](C)[C@H](N)c1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C15H20N2OS/c1-4-10(2)14(16)15-17-13(9-19-15)11-5-7-12(18-3)8-6-11/h5-10,14H,4,16H2,1-3H3/t10-,14-/m0/s1
InChIKeyBTCQRMNXYCHYFC-HZMBPMFUSA-N
MW276.41 g/mol
LogP3.86
Rot. Bonds5

About (1S,2S)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylbutan-1-amine

(1S,2S)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylbutan-1-amine (PubChem CID 67292696) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is (1S,2S)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylbutan-1-amine.

Molecular Properties

Compound Name(1S,2S)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylbutan-1-amine
PubChem CID67292696
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name(1S,2S)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylbutan-1-amine
SMILESCC[C@H](C)[C@H](N)c1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C15H20N2OS/c1-4-10(2)14(16)15-17-13(9-19-15)11-5-7-12(18-3)8-6-11/h5-10,14H,4,16H2,1-3H3/t10-,14-/m0/s1
InChIKeyBTCQRMNXYCHYFC-HZMBPMFUSA-N
XLogP3.86
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116967295
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
2,2-dimethyl-1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 61338857
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium
CID 7241954
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 61338979
[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazine
CID 5211248
1-[4-[3,5-di(butan-2-yl)-4-methoxyphenyl]-1,3-thiazol-2-yl]ethanamine
CID 3919078
N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-pentan-3-yl-N-propan-2-ylaniline
CID 69187320
(2S)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-oxoheptanenitrile
CID 94815121
4-(4-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 8962689
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide
CID 39071665
1-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
CID 120580478

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylbutan-1-amine?
The IUPAC name of (1S,2S)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylbutan-1-amine (CID 67292696) is (1S,2S)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylbutan-1-amine.
What is the SMILES notation for (1S,2S)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylbutan-1-amine?
The canonical SMILES for (1S,2S)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylbutan-1-amine is CC[C@H](C)[C@H](N)c1nc(-c2ccc(OC)cc2)cs1.
What is the InChIKey of (1S,2S)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylbutan-1-amine?
The InChIKey is BTCQRMNXYCHYFC-HZMBPMFUSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-4-10(2)14(16)15-17-13(9-19-15)11-5-7-12(18-3)8-6-11/h5-10,14H,4,16H2,1-3H3/t10-,14-/m0/s1.
What are the key properties of (1S,2S)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylbutan-1-amine?
(1S,2S)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylbutan-1-amine has a molecular weight of 276.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylbutan-1-amine is sourced from PubChem (CID 67292696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).