3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine

C16H22N2S — CID 105006692

IUPAC3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
SMILESCCCC(C)C(N)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H22N2S/c1-3-7-12(2)14(17)10-16-18-15(11-19-16)13-8-5-4-6-9-13/h4-6,8-9,11-12,14H,3,7,10,17H2,1-2H3
InChIKeyNXKDSDZMTWMJBL-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.12
Rot. Bonds6

About 3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine

3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine (PubChem CID 105006692) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
PubChem CID105006692
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
SMILESCCCC(C)C(N)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H22N2S/c1-3-7-12(2)14(17)10-16-18-15(11-19-16)13-8-5-4-6-9-13/h4-6,8-9,11-12,14H,3,7,10,17H2,1-2H3
InChIKeyNXKDSDZMTWMJBL-UHFFFAOYSA-N
XLogP4.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-yl]hydrazine
CID 105320685
2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81010215
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819889
3-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 105006711
3-methyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine
CID 81018569
1-(2-methylpropylsulfanyl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 79819598
3-amino-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-one
CID 116554751
N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012409
4-ethylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol
CID 116504657
4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103456577
2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79817621
3-methyl-N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012215

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine?
The IUPAC name of 3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine (CID 105006692) is 3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine.
What is the SMILES notation for 3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine?
The canonical SMILES for 3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine is CCCC(C)C(N)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine?
The InChIKey is NXKDSDZMTWMJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-3-7-12(2)14(17)10-16-18-15(11-19-16)13-8-5-4-6-9-13/h4-6,8-9,11-12,14H,3,7,10,17H2,1-2H3.
What are the key properties of 3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine?
3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine has a molecular weight of 274.43 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine is sourced from PubChem (CID 105006692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).