N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C23H25N5O3S — CID 33146254

IUPACN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCOc1ccc(-c2csc(NC(=O)CCc3c(C)nc4cc(C)nn4c3C)n2)cc1OC
InChIInChI=1S/C23H25N5O3S/c1-13-10-21-24-14(2)17(15(3)28(21)27-13)7-9-22(29)26-23-25-18(12-32-23)16-6-8-19(30-4)20(11-16)31-5/h6,8,10-12H,7,9H2,1-5H3,(H,25,26,29)
InChIKeyCKMBUEVADDHISJ-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.37
Rot. Bonds7

About N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 33146254) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID33146254
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCOc1ccc(-c2csc(NC(=O)CCc3c(C)nc4cc(C)nn4c3C)n2)cc1OC
InChIInChI=1S/C23H25N5O3S/c1-13-10-21-24-14(2)17(15(3)28(21)27-13)7-9-22(29)26-23-25-18(12-32-23)16-6-8-19(30-4)20(11-16)31-5/h6,8,10-12H,7,9H2,1-5H3,(H,25,26,29)
InChIKeyCKMBUEVADDHISJ-UHFFFAOYSA-N
XLogP4.37
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 92944336
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 9398428
2-(cyclopropylmethylamino)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 119676830
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 30183840
3-(3,4-dimethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19220711
N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 33147707
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 42994615
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,6-dimethylanilino)acetamide
CID 78822990
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfanylbutanamide
CID 18585602
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 55601562
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 46632424
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 17354519

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 33146254) is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is COc1ccc(-c2csc(NC(=O)CCc3c(C)nc4cc(C)nn4c3C)n2)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is CKMBUEVADDHISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-13-10-21-24-14(2)17(15(3)28(21)27-13)7-9-22(29)26-23-25-18(12-32-23)16-6-8-19(30-4)20(11-16)31-5/h6,8,10-12H,7,9H2,1-5H3,(H,25,26,29).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 451.55 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 33146254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).