(3S)-N-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)piperidin-3-amine

C17H27N5S — CID 124886165

IUPAC(3S)-N-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)piperidin-3-amine
SMILESCn1nccc1N1CCC[C@H](NCc2ncc(C(C)(C)C)s2)C1
InChIInChI=1S/C17H27N5S/c1-17(2,3)14-10-19-15(23-14)11-18-13-6-5-9-22(12-13)16-7-8-20-21(16)4/h7-8,10,13,18H,5-6,9,11-12H2,1-4H3/t13-/m0/s1
InChIKeyLRAWJNNWLAITAP-ZDUSSCGKSA-N
MW333.51 g/mol
LogP2.93
Rot. Bonds4

About (3S)-N-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)piperidin-3-amine

(3S)-N-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)piperidin-3-amine (PubChem CID 124886165) has the molecular formula C17H27N5S and a molecular weight of 333.51 g/mol. Its IUPAC name is (3S)-N-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)piperidin-3-amine
PubChem CID124886165
Molecular FormulaC17H27N5S
Molecular Weight333.51 g/mol
Exact Mass333.20
IUPAC Name(3S)-N-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)piperidin-3-amine
SMILESCn1nccc1N1CCC[C@H](NCc2ncc(C(C)(C)C)s2)C1
InChIInChI=1S/C17H27N5S/c1-17(2,3)14-10-19-15(23-14)11-18-13-6-5-9-22(12-13)16-7-8-20-21(16)4/h7-8,10,13,18H,5-6,9,11-12H2,1-4H3/t13-/m0/s1
InChIKeyLRAWJNNWLAITAP-ZDUSSCGKSA-N
XLogP2.93
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)piperidin-3-amine?
The IUPAC name of (3S)-N-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)piperidin-3-amine (CID 124886165) is (3S)-N-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)piperidin-3-amine.
What is the SMILES notation for (3S)-N-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)piperidin-3-amine?
The canonical SMILES for (3S)-N-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)piperidin-3-amine is Cn1nccc1N1CCC[C@H](NCc2ncc(C(C)(C)C)s2)C1.
What is the InChIKey of (3S)-N-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)piperidin-3-amine?
The InChIKey is LRAWJNNWLAITAP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27N5S/c1-17(2,3)14-10-19-15(23-14)11-18-13-6-5-9-22(12-13)16-7-8-20-21(16)4/h7-8,10,13,18H,5-6,9,11-12H2,1-4H3/t13-/m0/s1.
What are the key properties of (3S)-N-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)piperidin-3-amine?
(3S)-N-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)piperidin-3-amine has a molecular weight of 333.51 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)piperidin-3-amine is sourced from PubChem (CID 124886165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).