N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide

C16H23N5O2S — CID 171138573

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2csc(N3CCOCC3)n2)n1
InChIInChI=1S/C16H23N5O2S/c1-12-10-13(2)21(19-12)5-3-4-17-15(22)14-11-24-16(18-14)20-6-8-23-9-7-20/h10-11H,3-9H2,1-2H3,(H,17,22)
InChIKeyHSLVZUNVWPFHDJ-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.61
Rot. Bonds6

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 171138573) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID171138573
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2csc(N3CCOCC3)n2)n1
InChIInChI=1S/C16H23N5O2S/c1-12-10-13(2)21(19-12)5-3-4-17-15(22)14-11-24-16(18-14)20-6-8-23-9-7-20/h10-11H,3-9H2,1-2H3,(H,17,22)
InChIKeyHSLVZUNVWPFHDJ-UHFFFAOYSA-N
XLogP1.61
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 114539271
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 91816437
N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 117094105
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-iodothiophene-3-carboxamide
CID 78949506
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-4-carboxamide
CID 117084002
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 115569816
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111026987
N'-(2,5-dimethylthiophene-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 24553635
3,4-dimethyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24553651
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111026986

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide (CID 171138573) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide is Cc1cc(C)n(CCCNC(=O)c2csc(N3CCOCC3)n2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is HSLVZUNVWPFHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-12-10-13(2)21(19-12)5-3-4-17-15(22)14-11-24-16(18-14)20-6-8-23-9-7-20/h10-11H,3-9H2,1-2H3,(H,17,22).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171138573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).