N-[1-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide

C19H22ClN3O2S — CID 51135248

IUPACN-[1-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide
SMILESCc1sc(CNC(=O)C(C)NC(=O)C2CCC2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O2S/c1-11(22-19(25)14-4-3-5-14)18(24)21-10-16-23-17(12(2)26-16)13-6-8-15(20)9-7-13/h6-9,11,14H,3-5,10H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyFEJBIDKNXOTHBF-UHFFFAOYSA-N
MW391.92 g/mol
LogP3.69
Rot. Bonds6

About N-[1-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide

N-[1-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide (PubChem CID 51135248) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is N-[1-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide
PubChem CID51135248
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC NameN-[1-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide
SMILESCc1sc(CNC(=O)C(C)NC(=O)C2CCC2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O2S/c1-11(22-19(25)14-4-3-5-14)18(24)21-10-16-23-17(12(2)26-16)13-6-8-15(20)9-7-13/h6-9,11,14H,3-5,10H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyFEJBIDKNXOTHBF-UHFFFAOYSA-N
XLogP3.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide (CID 51135248) is N-[1-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide is Cc1sc(CNC(=O)C(C)NC(=O)C2CCC2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[1-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The InChIKey is FEJBIDKNXOTHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c1-11(22-19(25)14-4-3-5-14)18(24)21-10-16-23-17(12(2)26-16)13-6-8-15(20)9-7-13/h6-9,11,14H,3-5,10H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[1-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
N-[1-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide has a molecular weight of 391.92 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 51135248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).