N-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine

C20H21IN4S — CID 58910824

IUPACN-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCN1CCN(c2ccc(-c3csc(Nc4ccc(I)cc4)n3)cc2)CC1
InChIInChI=1S/C20H21IN4S/c1-24-10-12-25(13-11-24)18-8-2-15(3-9-18)19-14-26-20(23-19)22-17-6-4-16(21)5-7-17/h2-9,14H,10-13H2,1H3,(H,22,23)
InChIKeyNEVQCCCNGGMEOX-UHFFFAOYSA-N
MW476.39 g/mol
LogP4.91
Rot. Bonds4

About N-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine

N-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine (PubChem CID 58910824) has the molecular formula C20H21IN4S and a molecular weight of 476.39 g/mol. Its IUPAC name is N-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
PubChem CID58910824
Molecular FormulaC20H21IN4S
Molecular Weight476.39 g/mol
Exact Mass476.05
IUPAC NameN-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCN1CCN(c2ccc(-c3csc(Nc4ccc(I)cc4)n3)cc2)CC1
InChIInChI=1S/C20H21IN4S/c1-24-10-12-25(13-11-24)18-8-2-15(3-9-18)19-14-26-20(23-19)22-17-6-4-16(21)5-7-17/h2-9,14H,10-13H2,1H3,(H,22,23)
InChIKeyNEVQCCCNGGMEOX-UHFFFAOYSA-N
XLogP4.91
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.39
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 59626916
4-[[4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzoic acid
CID 58911122
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-naphthalen-2-yl-1,3-thiazol-2-amine
CID 58910720
N-(3-methoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910966
N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 134126795
4-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine
CID 118708824
4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 10150294
N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine
CID 2193688
4-(4-imidazol-1-ylphenyl)-N-(4-iodophenyl)-1,3-thiazol-2-amine
CID 58910753
4-phenyl-N-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine
CID 117097264
N-(4-nitrophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 59088612
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 58910616

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine (CID 58910824) is N-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine is CN1CCN(c2ccc(-c3csc(Nc4ccc(I)cc4)n3)cc2)CC1.
What is the InChIKey of N-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is NEVQCCCNGGMEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21IN4S/c1-24-10-12-25(13-11-24)18-8-2-15(3-9-18)19-14-26-20(23-19)22-17-6-4-16(21)5-7-17/h2-9,14H,10-13H2,1H3,(H,22,23).
What are the key properties of N-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine?
N-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 476.39 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 58910824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).