N-[(2S)-3-methylbutan-2-yl]-1-[4-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine

C19H27N3S — CID 46987446

IUPACN-[(2S)-3-methylbutan-2-yl]-1-[4-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine
SMILESCC(C)[C@H](C)NC1CCN(c2ccc(-c3cscn3)cc2)CC1
InChIInChI=1S/C19H27N3S/c1-14(2)15(3)21-17-8-10-22(11-9-17)18-6-4-16(5-7-18)19-12-23-13-20-19/h4-7,12-15,17,21H,8-11H2,1-3H3/t15-/m0/s1
InChIKeyVCMHLIJQDWMGHD-HNNXBMFYSA-N
MW329.51 g/mol
LogP4.41
Rot. Bonds5

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

N-[(2S)-3-methylbutan-2-yl]-1-[4-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine (PubChem CID 46987446) has the molecular formula C19H27N3S and a molecular weight of 329.51 g/mol. Its IUPAC name is N-[(2S)-3-methylbutan-2-yl]-1-[4-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(2S)-3-methylbutan-2-yl]-1-[4-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine
PubChem CID46987446
Molecular FormulaC19H27N3S
Molecular Weight329.51 g/mol
Exact Mass329.19
IUPAC NameN-[(2S)-3-methylbutan-2-yl]-1-[4-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine
SMILESCC(C)[C@H](C)NC1CCN(c2ccc(-c3cscn3)cc2)CC1
InChIInChI=1S/C19H27N3S/c1-14(2)15(3)21-17-8-10-22(11-9-17)18-6-4-16(5-7-18)19-12-23-13-20-19/h4-7,12-15,17,21H,8-11H2,1-3H3/t15-/m0/s1
InChIKeyVCMHLIJQDWMGHD-HNNXBMFYSA-N
XLogP4.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methylbutan-2-yl]-1-[4-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine?
The IUPAC name of N-[(2S)-3-methylbutan-2-yl]-1-[4-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine (CID 46987446) is N-[(2S)-3-methylbutan-2-yl]-1-[4-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-[(2S)-3-methylbutan-2-yl]-1-[4-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine?
The canonical SMILES for N-[(2S)-3-methylbutan-2-yl]-1-[4-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine is CC(C)[C@H](C)NC1CCN(c2ccc(-c3cscn3)cc2)CC1.
What is the InChIKey of N-[(2S)-3-methylbutan-2-yl]-1-[4-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine?
The InChIKey is VCMHLIJQDWMGHD-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27N3S/c1-14(2)15(3)21-17-8-10-22(11-9-17)18-6-4-16(5-7-18)19-12-23-13-20-19/h4-7,12-15,17,21H,8-11H2,1-3H3/t15-/m0/s1.
What are the key properties of N-[(2S)-3-methylbutan-2-yl]-1-[4-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine?
N-[(2S)-3-methylbutan-2-yl]-1-[4-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine has a molecular weight of 329.51 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methylbutan-2-yl]-1-[4-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 46987446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).