N-(4-piperazin-1-ylphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine

C16H17N5S2 — CID 163214659

IUPACN-(4-piperazin-1-ylphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESc1csc(-c2csc(Nc3ccc(N4CCNCC4)cc3)n2)n1
InChIInChI=1S/C16H17N5S2/c1-3-13(21-8-5-17-6-9-21)4-2-12(1)19-16-20-14(11-23-16)15-18-7-10-22-15/h1-4,7,10-11,17H,5-6,8-9H2,(H,19,20)
InChIKeyICIKRKKQHLPMTG-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.42
Rot. Bonds4

About N-(4-piperazin-1-ylphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine

N-(4-piperazin-1-ylphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine (PubChem CID 163214659) has the molecular formula C16H17N5S2 and a molecular weight of 343.48 g/mol. Its IUPAC name is N-(4-piperazin-1-ylphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-piperazin-1-ylphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
PubChem CID163214659
Molecular FormulaC16H17N5S2
Molecular Weight343.48 g/mol
Exact Mass343.09
IUPAC NameN-(4-piperazin-1-ylphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESc1csc(-c2csc(Nc3ccc(N4CCNCC4)cc3)n2)n1
InChIInChI=1S/C16H17N5S2/c1-3-13(21-8-5-17-6-9-21)4-2-12(1)19-16-20-14(11-23-16)15-18-7-10-22-15/h1-4,7,10-11,17H,5-6,8-9H2,(H,19,20)
InChIKeyICIKRKKQHLPMTG-UHFFFAOYSA-N
XLogP3.42
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-N-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine
CID 117097264
N-(1,3-benzodioxol-5-yl)-4-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine
CID 58911009
N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 134126795
N-(4-morpholin-4-ylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 122192398
N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 82513989
N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214642
N-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910824
N-(4-morpholin-4-ylphenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 171358589
2-(2-piperazin-1-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazole
CID 64988735
N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214674
4-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine
CID 118708824
N-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 82513961

Frequently Asked Questions

What is the IUPAC name of N-(4-piperazin-1-ylphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-piperazin-1-ylphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine (CID 163214659) is N-(4-piperazin-1-ylphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-piperazin-1-ylphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-piperazin-1-ylphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine is c1csc(-c2csc(Nc3ccc(N4CCNCC4)cc3)n2)n1.
What is the InChIKey of N-(4-piperazin-1-ylphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The InChIKey is ICIKRKKQHLPMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S2/c1-3-13(21-8-5-17-6-9-21)4-2-12(1)19-16-20-14(11-23-16)15-18-7-10-22-15/h1-4,7,10-11,17H,5-6,8-9H2,(H,19,20).
What are the key properties of N-(4-piperazin-1-ylphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
N-(4-piperazin-1-ylphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine has a molecular weight of 343.48 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperazin-1-ylphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 163214659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).