N-[4-[4-(1,3-dimethylpyrazol-4-yl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide

C18H17N7OS — CID 58094794

IUPACN-[4-[4-(1,3-dimethylpyrazol-4-yl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2nc(-c3cn(C)nc3C)c(-c3ncc[nH]3)s2)ccn1
InChIInChI=1S/C18H17N7OS/c1-10-13(9-25(3)24-10)15-16(17-20-6-7-21-17)27-18(23-15)12-4-5-19-14(8-12)22-11(2)26/h4-9H,1-3H3,(H,20,21)(H,19,22,26)
InChIKeyMZDSDDCCCSYMNB-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.26
Rot. Bonds4

About N-[4-[4-(1,3-dimethylpyrazol-4-yl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide

N-[4-[4-(1,3-dimethylpyrazol-4-yl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide (PubChem CID 58094794) has the molecular formula C18H17N7OS and a molecular weight of 379.45 g/mol. Its IUPAC name is N-[4-[4-(1,3-dimethylpyrazol-4-yl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(1,3-dimethylpyrazol-4-yl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
PubChem CID58094794
Molecular FormulaC18H17N7OS
Molecular Weight379.45 g/mol
Exact Mass379.12
IUPAC NameN-[4-[4-(1,3-dimethylpyrazol-4-yl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2nc(-c3cn(C)nc3C)c(-c3ncc[nH]3)s2)ccn1
InChIInChI=1S/C18H17N7OS/c1-10-13(9-25(3)24-10)15-16(17-20-6-7-21-17)27-18(23-15)12-4-5-19-14(8-12)22-11(2)26/h4-9H,1-3H3,(H,20,21)(H,19,22,26)
InChIKeyMZDSDDCCCSYMNB-UHFFFAOYSA-N
XLogP3.26
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,3-dimethylpyrazol-4-yl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[4-(1,3-dimethylpyrazol-4-yl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide (CID 58094794) is N-[4-[4-(1,3-dimethylpyrazol-4-yl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[4-(1,3-dimethylpyrazol-4-yl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[4-(1,3-dimethylpyrazol-4-yl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2nc(-c3cn(C)nc3C)c(-c3ncc[nH]3)s2)ccn1.
What is the InChIKey of N-[4-[4-(1,3-dimethylpyrazol-4-yl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?
The InChIKey is MZDSDDCCCSYMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7OS/c1-10-13(9-25(3)24-10)15-16(17-20-6-7-21-17)27-18(23-15)12-4-5-19-14(8-12)22-11(2)26/h4-9H,1-3H3,(H,20,21)(H,19,22,26).
What are the key properties of N-[4-[4-(1,3-dimethylpyrazol-4-yl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?
N-[4-[4-(1,3-dimethylpyrazol-4-yl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide has a molecular weight of 379.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1,3-dimethylpyrazol-4-yl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 58094794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).