N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide

C18H23N5O2S — CID 154814683

IUPACN-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCn1cc(C2CCCCN2C(=O)C(=O)NC(c2nccs2)C2CC2)cn1
InChIInChI=1S/C18H23N5O2S/c1-22-11-13(10-20-22)14-4-2-3-8-23(14)18(25)16(24)21-15(12-5-6-12)17-19-7-9-26-17/h7,9-12,14-15H,2-6,8H2,1H3,(H,21,24)
InChIKeyTYPVUIQPQSCCMT-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.20
Rot. Bonds4

About N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide

N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 154814683) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
PubChem CID154814683
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC NameN-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCn1cc(C2CCCCN2C(=O)C(=O)NC(c2nccs2)C2CC2)cn1
InChIInChI=1S/C18H23N5O2S/c1-22-11-13(10-20-22)14-4-2-3-8-23(14)18(25)16(24)21-15(12-5-6-12)17-19-7-9-26-17/h7,9-12,14-15H,2-6,8H2,1H3,(H,21,24)
InChIKeyTYPVUIQPQSCCMT-UHFFFAOYSA-N
XLogP2.20
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 92566960
2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxo-N-[[4-(trifluoromethyl)thiophen-2-yl]methyl]acetamide
CID 167967615
[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 126855023
2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one
CID 92551768
N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
CID 167794133
N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 95968029
3,3-dicyclopropyl-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95348351
N-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide
CID 97219025
4-cyclopropyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 75375387
1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 171136838
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 100895196
N-[[4-[(S)-acetamido(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohexanecarboxamide
CID 98077180

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide (CID 154814683) is N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide is Cn1cc(C2CCCCN2C(=O)C(=O)NC(c2nccs2)C2CC2)cn1.
What is the InChIKey of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is TYPVUIQPQSCCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-22-11-13(10-20-22)14-4-2-3-8-23(14)18(25)16(24)21-15(12-5-6-12)17-19-7-9-26-17/h7,9-12,14-15H,2-6,8H2,1H3,(H,21,24).
What are the key properties of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 373.48 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 154814683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).