N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-propylpyrazole-3-carboxamide

C18H20N4O2S — CID 75537700

IUPACN-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-propylpyrazole-3-carboxamide
SMILESCCCn1ccc(C(=O)NCc2nc(-c3ccc(OC)cc3)cs2)n1
InChIInChI=1S/C18H20N4O2S/c1-3-9-22-10-8-15(21-22)18(23)19-11-17-20-16(12-25-17)13-4-6-14(24-2)7-5-13/h4-8,10,12H,3,9,11H2,1-2H3,(H,19,23)
InChIKeyOTLPESONJKDWTF-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.36
Rot. Bonds7

About N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-propylpyrazole-3-carboxamide

N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-propylpyrazole-3-carboxamide (PubChem CID 75537700) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-propylpyrazole-3-carboxamide
PubChem CID75537700
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-propylpyrazole-3-carboxamide
SMILESCCCn1ccc(C(=O)NCc2nc(-c3ccc(OC)cc3)cs2)n1
InChIInChI=1S/C18H20N4O2S/c1-3-9-22-10-8-15(21-22)18(23)19-11-17-20-16(12-25-17)13-4-6-14(24-2)7-5-13/h4-8,10,12H,3,9,11H2,1-2H3,(H,19,23)
InChIKeyOTLPESONJKDWTF-UHFFFAOYSA-N
XLogP3.36
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 167930718
3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 71691502
6-anilino-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrimidine-4-carboxamide
CID 167880403
3,5-dimethoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 110318175
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110393653
2,4-dimethoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
CID 55663365
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide
CID 39071665
methyl 1-propylpyrazole-3-carboxylate
CID 25247474
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium
CID 7241954
1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-(4-propan-2-ylphenyl)urea
CID 71691474
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110351799
1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea
CID 71691444

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-propylpyrazole-3-carboxamide?
The IUPAC name of N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-propylpyrazole-3-carboxamide (CID 75537700) is N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-propylpyrazole-3-carboxamide?
The canonical SMILES for N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-propylpyrazole-3-carboxamide is CCCn1ccc(C(=O)NCc2nc(-c3ccc(OC)cc3)cs2)n1.
What is the InChIKey of N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-propylpyrazole-3-carboxamide?
The InChIKey is OTLPESONJKDWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-3-9-22-10-8-15(21-22)18(23)19-11-17-20-16(12-25-17)13-4-6-14(24-2)7-5-13/h4-8,10,12H,3,9,11H2,1-2H3,(H,19,23).
What are the key properties of N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-propylpyrazole-3-carboxamide?
N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-propylpyrazole-3-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-propylpyrazole-3-carboxamide is sourced from PubChem (CID 75537700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).