[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-[4-methyl-2-(4-methylnaphthalen-1-yl)-1,3-thiazol-5-yl]methanone

C28H35N3OS — CID 59338670

IUPAC[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-[4-methyl-2-(4-methylnaphthalen-1-yl)-1,3-thiazol-5-yl]methanone
SMILESCCCN(CC1CC1)C1CCN(C(=O)c2sc(-c3ccc(C)c4ccccc34)nc2C)CC1
InChIInChI=1S/C28H35N3OS/c1-4-15-31(18-21-10-11-21)22-13-16-30(17-14-22)28(32)26-20(3)29-27(33-26)25-12-9-19(2)23-7-5-6-8-24(23)25/h5-9,12,21-22H,4,10-11,13-18H2,1-3H3
InChIKeyPHQQBNWJZJIVSB-UHFFFAOYSA-N
MW461.68 g/mol
LogP6.31
Rot. Bonds7

About [4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-[4-methyl-2-(4-methylnaphthalen-1-yl)-1,3-thiazol-5-yl]methanone

[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-[4-methyl-2-(4-methylnaphthalen-1-yl)-1,3-thiazol-5-yl]methanone (PubChem CID 59338670) has the molecular formula C28H35N3OS and a molecular weight of 461.68 g/mol. Its IUPAC name is [4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-[4-methyl-2-(4-methylnaphthalen-1-yl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-[4-methyl-2-(4-methylnaphthalen-1-yl)-1,3-thiazol-5-yl]methanone
PubChem CID59338670
Molecular FormulaC28H35N3OS
Molecular Weight461.68 g/mol
Exact Mass461.25
IUPAC Name[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-[4-methyl-2-(4-methylnaphthalen-1-yl)-1,3-thiazol-5-yl]methanone
SMILESCCCN(CC1CC1)C1CCN(C(=O)c2sc(-c3ccc(C)c4ccccc34)nc2C)CC1
InChIInChI=1S/C28H35N3OS/c1-4-15-31(18-21-10-11-21)22-13-16-30(17-14-22)28(32)26-20(3)29-27(33-26)25-12-9-19(2)23-7-5-6-8-24(23)25/h5-9,12,21-22H,4,10-11,13-18H2,1-3H3
InChIKeyPHQQBNWJZJIVSB-UHFFFAOYSA-N
XLogP6.31
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.68
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-[4-methyl-2-(4-methylnaphthalen-1-yl)-1,3-thiazol-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-[4-methyl-2-(4-methylnaphthalen-1-yl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of [4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-[4-methyl-2-(4-methylnaphthalen-1-yl)-1,3-thiazol-5-yl]methanone (CID 59338670) is [4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-[4-methyl-2-(4-methylnaphthalen-1-yl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-[4-methyl-2-(4-methylnaphthalen-1-yl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-[4-methyl-2-(4-methylnaphthalen-1-yl)-1,3-thiazol-5-yl]methanone is CCCN(CC1CC1)C1CCN(C(=O)c2sc(-c3ccc(C)c4ccccc34)nc2C)CC1.
What is the InChIKey of [4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-[4-methyl-2-(4-methylnaphthalen-1-yl)-1,3-thiazol-5-yl]methanone?
The InChIKey is PHQQBNWJZJIVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3OS/c1-4-15-31(18-21-10-11-21)22-13-16-30(17-14-22)28(32)26-20(3)29-27(33-26)25-12-9-19(2)23-7-5-6-8-24(23)25/h5-9,12,21-22H,4,10-11,13-18H2,1-3H3.
What are the key properties of [4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-[4-methyl-2-(4-methylnaphthalen-1-yl)-1,3-thiazol-5-yl]methanone?
[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-[4-methyl-2-(4-methylnaphthalen-1-yl)-1,3-thiazol-5-yl]methanone has a molecular weight of 461.68 g/mol, XLogP of 6.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-[4-methyl-2-(4-methylnaphthalen-1-yl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 59338670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).