N-(4-methyl-1,3-thiazol-2-yl)-4-(3-propan-2-ylphenoxy)piperidine-1-carboxamide

C19H25N3O2S — CID 25052527

IUPACN-(4-methyl-1,3-thiazol-2-yl)-4-(3-propan-2-ylphenoxy)piperidine-1-carboxamide
SMILESCc1csc(NC(=O)N2CCC(Oc3cccc(C(C)C)c3)CC2)n1
InChIInChI=1S/C19H25N3O2S/c1-13(2)15-5-4-6-17(11-15)24-16-7-9-22(10-8-16)19(23)21-18-20-14(3)12-25-18/h4-6,11-13,16H,7-10H2,1-3H3,(H,20,21,23)
InChIKeyRKWPCLUBBHXHGZ-UHFFFAOYSA-N
MW359.50 g/mol
LogP4.65
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-4-(3-propan-2-ylphenoxy)piperidine-1-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-4-(3-propan-2-ylphenoxy)piperidine-1-carboxamide (PubChem CID 25052527) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-4-(3-propan-2-ylphenoxy)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-4-(3-propan-2-ylphenoxy)piperidine-1-carboxamide
PubChem CID25052527
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-4-(3-propan-2-ylphenoxy)piperidine-1-carboxamide
SMILESCc1csc(NC(=O)N2CCC(Oc3cccc(C(C)C)c3)CC2)n1
InChIInChI=1S/C19H25N3O2S/c1-13(2)15-5-4-6-17(11-15)24-16-7-9-22(10-8-16)19(23)21-18-20-14(3)12-25-18/h4-6,11-13,16H,7-10H2,1-3H3,(H,20,21,23)
InChIKeyRKWPCLUBBHXHGZ-UHFFFAOYSA-N
XLogP4.65
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 145485976
4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 86986848
4-N-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47194180
4-[(4-fluorophenyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 111109253
N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 25052545
1-(4-methyl-1,3-thiazol-2-yl)-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
CID 86989123
4-N-(2-methoxyphenyl)-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 86986741
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564
2-[1-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682851
(3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97078503
N-(3-cyclopentyloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111424820
N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4162363

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-(3-propan-2-ylphenoxy)piperidine-1-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-(3-propan-2-ylphenoxy)piperidine-1-carboxamide (CID 25052527) is N-(4-methyl-1,3-thiazol-2-yl)-4-(3-propan-2-ylphenoxy)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-4-(3-propan-2-ylphenoxy)piperidine-1-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-4-(3-propan-2-ylphenoxy)piperidine-1-carboxamide is Cc1csc(NC(=O)N2CCC(Oc3cccc(C(C)C)c3)CC2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-4-(3-propan-2-ylphenoxy)piperidine-1-carboxamide?
The InChIKey is RKWPCLUBBHXHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-13(2)15-5-4-6-17(11-15)24-16-7-9-22(10-8-16)19(23)21-18-20-14(3)12-25-18/h4-6,11-13,16H,7-10H2,1-3H3,(H,20,21,23).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-4-(3-propan-2-ylphenoxy)piperidine-1-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-4-(3-propan-2-ylphenoxy)piperidine-1-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-4-(3-propan-2-ylphenoxy)piperidine-1-carboxamide is sourced from PubChem (CID 25052527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).