N,N-dimethyl-5-[1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazol-2-yl]-1,3-thiazol-2-amine

C17H17N7S — CID 56867495

IUPACN,N-dimethyl-5-[1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazol-2-yl]-1,3-thiazol-2-amine
SMILESCc1nc(-c2ccc(-n3ccnc3-c3cnc(N(C)C)s3)cc2)n[nH]1
InChIInChI=1S/C17H17N7S/c1-11-20-15(22-21-11)12-4-6-13(7-5-12)24-9-8-18-16(24)14-10-19-17(25-14)23(2)3/h4-10H,1-3H3,(H,20,21,22)
InChIKeyHQBFYJFJFAXNDU-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.16
Rot. Bonds4

About N,N-dimethyl-5-[1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazol-2-yl]-1,3-thiazol-2-amine

N,N-dimethyl-5-[1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazol-2-yl]-1,3-thiazol-2-amine (PubChem CID 56867495) has the molecular formula C17H17N7S and a molecular weight of 351.44 g/mol. Its IUPAC name is N,N-dimethyl-5-[1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazol-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazol-2-yl]-1,3-thiazol-2-amine
PubChem CID56867495
Molecular FormulaC17H17N7S
Molecular Weight351.44 g/mol
Exact Mass351.13
IUPAC NameN,N-dimethyl-5-[1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazol-2-yl]-1,3-thiazol-2-amine
SMILESCc1nc(-c2ccc(-n3ccnc3-c3cnc(N(C)C)s3)cc2)n[nH]1
InChIInChI=1S/C17H17N7S/c1-11-20-15(22-21-11)12-4-6-13(7-5-12)24-9-8-18-16(24)14-10-19-17(25-14)23(2)3/h4-10H,1-3H3,(H,20,21,22)
InChIKeyHQBFYJFJFAXNDU-UHFFFAOYSA-N
XLogP3.16
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 70732336
ethane;5-methyl-3-(4-methylphenyl)-1H-1,2,4-triazole
CID 143974565
5-(5-methyl-1H-1,2,4-triazol-3-yl)pyridin-2-amine
CID 63260041
[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]boronic acid
CID 66699828
N,N-dimethyl-5-[1-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazol-2-amine
CID 95551886
N,N-dimethyl-5-phenyl-1,3-thiazol-2-amine
CID 12532268
[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]boronic acid;hydrochloride
CID 66699827
N,N-dimethyl-4-(2-phenylimidazol-1-yl)aniline
CID 59348233
4-[1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]imidazol-2-yl]-2-propan-2-ylpyrimidine
CID 56870019
5-methyl-3-(4-phenoxyphenyl)-1H-1,2,4-triazole
CID 44516316
1-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]ethenol
CID 163670356
2-(1H-imidazol-2-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]imidazole
CID 70775814

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazol-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-[1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazol-2-yl]-1,3-thiazol-2-amine (CID 56867495) is N,N-dimethyl-5-[1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazol-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazol-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-[1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazol-2-yl]-1,3-thiazol-2-amine is Cc1nc(-c2ccc(-n3ccnc3-c3cnc(N(C)C)s3)cc2)n[nH]1.
What is the InChIKey of N,N-dimethyl-5-[1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazol-2-yl]-1,3-thiazol-2-amine?
The InChIKey is HQBFYJFJFAXNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7S/c1-11-20-15(22-21-11)12-4-6-13(7-5-12)24-9-8-18-16(24)14-10-19-17(25-14)23(2)3/h4-10H,1-3H3,(H,20,21,22).
What are the key properties of N,N-dimethyl-5-[1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazol-2-yl]-1,3-thiazol-2-amine?
N,N-dimethyl-5-[1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazol-2-yl]-1,3-thiazol-2-amine has a molecular weight of 351.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazol-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 56867495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).