4-[2-[5-(1,3-dimethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-thiazol-2-amine

C19H20N6S — CID 50955094

IUPAC4-[2-[5-(1,3-dimethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-thiazol-2-amine
SMILESCc1nn(C)cc1-c1c(-c2ccccc2)ncn1CCc1csc(N)n1
InChIInChI=1S/C19H20N6S/c1-13-16(10-24(2)23-13)18-17(14-6-4-3-5-7-14)21-12-25(18)9-8-15-11-26-19(20)22-15/h3-7,10-12H,8-9H2,1-2H3,(H2,20,22)
InChIKeyNTLHCUSPCDMAQJ-UHFFFAOYSA-N
MW364.48 g/mol
LogP3.54
Rot. Bonds5

About 4-[2-[5-(1,3-dimethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-thiazol-2-amine

4-[2-[5-(1,3-dimethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-thiazol-2-amine (PubChem CID 50955094) has the molecular formula C19H20N6S and a molecular weight of 364.48 g/mol. Its IUPAC name is 4-[2-[5-(1,3-dimethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[5-(1,3-dimethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-thiazol-2-amine
PubChem CID50955094
Molecular FormulaC19H20N6S
Molecular Weight364.48 g/mol
Exact Mass364.15
IUPAC Name4-[2-[5-(1,3-dimethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-thiazol-2-amine
SMILESCc1nn(C)cc1-c1c(-c2ccccc2)ncn1CCc1csc(N)n1
InChIInChI=1S/C19H20N6S/c1-13-16(10-24(2)23-13)18-17(14-6-4-3-5-7-14)21-12-25(18)9-8-15-11-26-19(20)22-15/h3-7,10-12H,8-9H2,1-2H3,(H2,20,22)
InChIKeyNTLHCUSPCDMAQJ-UHFFFAOYSA-N
XLogP3.54
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[5-(5-ethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine
CID 50958331
3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39834339
3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]aniline
CID 65197542
4,5-diphenyl-1-propylimidazole
CID 14950648
3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 39826511
3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 65197444
4-[2-(5-cyclopropyl-4-phenylimidazol-1-yl)ethyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 50970691
5-[[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole
CID 50964725
2-(2-amino-1,3-thiazol-4-yl)-N-(1,3-dimethylpyrazol-4-yl)acetamide
CID 102805535
2-[3-[(4-methylthiadiazol-5-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid
CID 50982647
4-butyl-1,3-thiazol-2-amine;toluene
CID 174630641
2-[2-[5-(4,5-dimethylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]pyrazine
CID 50976236

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(1,3-dimethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[5-(1,3-dimethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-thiazol-2-amine (CID 50955094) is 4-[2-[5-(1,3-dimethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[5-(1,3-dimethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[5-(1,3-dimethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-thiazol-2-amine is Cc1nn(C)cc1-c1c(-c2ccccc2)ncn1CCc1csc(N)n1.
What is the InChIKey of 4-[2-[5-(1,3-dimethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-thiazol-2-amine?
The InChIKey is NTLHCUSPCDMAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6S/c1-13-16(10-24(2)23-13)18-17(14-6-4-3-5-7-14)21-12-25(18)9-8-15-11-26-19(20)22-15/h3-7,10-12H,8-9H2,1-2H3,(H2,20,22).
What are the key properties of 4-[2-[5-(1,3-dimethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-thiazol-2-amine?
4-[2-[5-(1,3-dimethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-thiazol-2-amine has a molecular weight of 364.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(1,3-dimethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 50955094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).