(3S)-N-(4-propan-2-ylphenyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-amine

C18H25N3S — CID 42199390

IUPAC(3S)-N-(4-propan-2-ylphenyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-amine
SMILESCC(C)c1ccc(N[C@H]2CCCN(Cc3nccs3)C2)cc1
InChIInChI=1S/C18H25N3S/c1-14(2)15-5-7-16(8-6-15)20-17-4-3-10-21(12-17)13-18-19-9-11-22-18/h5-9,11,14,17,20H,3-4,10,12-13H2,1-2H3/t17-/m0/s1
InChIKeyAMOLDIYKOWQSSK-KRWDZBQOSA-N
MW315.49 g/mol
LogP4.34
Rot. Bonds5

About (3S)-N-(4-propan-2-ylphenyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-amine

(3S)-N-(4-propan-2-ylphenyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-amine (PubChem CID 42199390) has the molecular formula C18H25N3S and a molecular weight of 315.49 g/mol. Its IUPAC name is (3S)-N-(4-propan-2-ylphenyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-(4-propan-2-ylphenyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-amine
PubChem CID42199390
Molecular FormulaC18H25N3S
Molecular Weight315.49 g/mol
Exact Mass315.18
IUPAC Name(3S)-N-(4-propan-2-ylphenyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-amine
SMILESCC(C)c1ccc(N[C@H]2CCCN(Cc3nccs3)C2)cc1
InChIInChI=1S/C18H25N3S/c1-14(2)15-5-7-16(8-6-15)20-17-4-3-10-21(12-17)13-18-19-9-11-22-18/h5-9,11,14,17,20H,3-4,10,12-13H2,1-2H3/t17-/m0/s1
InChIKeyAMOLDIYKOWQSSK-KRWDZBQOSA-N
XLogP4.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(4-propan-2-ylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine
CID 42194213
(3S)-N-(4-fluorophenyl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-amine
CID 42525472
N-(4-propan-2-ylphenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine
CID 45242588
N-propan-2-yl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 115752802
5-methoxy-2-[[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methyl]-1H-pyridin-4-one
CID 95715011
ethyl 2-[[(3S)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]amino]acetate
CID 42193925
N-(4-propan-2-ylphenyl)-1-(thian-4-yl)piperidin-3-amine
CID 56718877
N-(1-methylpyrazol-4-yl)-2-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]acetamide
CID 95719460
methyl (3S)-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxylate
CID 115384916
4-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]morpholine
CID 45236744
2-methylsulfanyl-1-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethanone
CID 45190494
1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-2-sulfanylethanone
CID 146483126

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-propan-2-ylphenyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-amine?
The IUPAC name of (3S)-N-(4-propan-2-ylphenyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-amine (CID 42199390) is (3S)-N-(4-propan-2-ylphenyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-amine.
What is the SMILES notation for (3S)-N-(4-propan-2-ylphenyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-amine?
The canonical SMILES for (3S)-N-(4-propan-2-ylphenyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-amine is CC(C)c1ccc(N[C@H]2CCCN(Cc3nccs3)C2)cc1.
What is the InChIKey of (3S)-N-(4-propan-2-ylphenyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-amine?
The InChIKey is AMOLDIYKOWQSSK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25N3S/c1-14(2)15-5-7-16(8-6-15)20-17-4-3-10-21(12-17)13-18-19-9-11-22-18/h5-9,11,14,17,20H,3-4,10,12-13H2,1-2H3/t17-/m0/s1.
What are the key properties of (3S)-N-(4-propan-2-ylphenyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-amine?
(3S)-N-(4-propan-2-ylphenyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-amine has a molecular weight of 315.49 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-propan-2-ylphenyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 42199390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).