N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide

C19H24ClN3O2S — CID 126787628

IUPACN-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(C)NC(=O)N1CCC(CO)CC1
InChIInChI=1S/C19H24ClN3O2S/c1-12-17(26-18(21-12)15-3-5-16(20)6-4-15)13(2)22-19(25)23-9-7-14(11-24)8-10-23/h3-6,13-14,24H,7-11H2,1-2H3,(H,22,25)
InChIKeyVWZKNFHQLLIGJN-UHFFFAOYSA-N
MW393.94 g/mol
LogP4.25
Rot. Bonds4

About N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide

N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 126787628) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID126787628
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC NameN-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(C)NC(=O)N1CCC(CO)CC1
InChIInChI=1S/C19H24ClN3O2S/c1-12-17(26-18(21-12)15-3-5-16(20)6-4-15)13(2)22-19(25)23-9-7-14(11-24)8-10-23/h3-6,13-14,24H,7-11H2,1-2H3,(H,22,25)
InChIKeyVWZKNFHQLLIGJN-UHFFFAOYSA-N
XLogP4.25
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide (CID 126787628) is N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide is Cc1nc(-c2ccc(Cl)cc2)sc1C(C)NC(=O)N1CCC(CO)CC1.
What is the InChIKey of N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is VWZKNFHQLLIGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2S/c1-12-17(26-18(21-12)15-3-5-16(20)6-4-15)13(2)22-19(25)23-9-7-14(11-24)8-10-23/h3-6,13-14,24H,7-11H2,1-2H3,(H,22,25).
What are the key properties of N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 393.94 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 126787628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).