N-[4-(imidazol-1-ylmethyl)phenyl]-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine

C16H13N5S2 — CID 163214701

IUPACN-[4-(imidazol-1-ylmethyl)phenyl]-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESc1cn(Cc2ccc(Nc3nc(-c4nccs4)cs3)cc2)cn1
InChIInChI=1S/C16H13N5S2/c1-3-13(4-2-12(1)9-21-7-5-17-11-21)19-16-20-14(10-23-16)15-18-6-8-22-15/h1-8,10-11H,9H2,(H,19,20)
InChIKeyFCMDCMRHZDEBSC-UHFFFAOYSA-N
MW339.45 g/mol
LogP4.26
Rot. Bonds5

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

N-[4-(imidazol-1-ylmethyl)phenyl]-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine (PubChem CID 163214701) has the molecular formula C16H13N5S2 and a molecular weight of 339.45 g/mol. Its IUPAC name is N-[4-(imidazol-1-ylmethyl)phenyl]-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(imidazol-1-ylmethyl)phenyl]-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
PubChem CID163214701
Molecular FormulaC16H13N5S2
Molecular Weight339.45 g/mol
Exact Mass339.06
IUPAC NameN-[4-(imidazol-1-ylmethyl)phenyl]-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESc1cn(Cc2ccc(Nc3nc(-c4nccs4)cs3)cc2)cn1
InChIInChI=1S/C16H13N5S2/c1-3-13(4-2-12(1)9-21-7-5-17-11-21)19-16-20-14(10-23-16)15-18-6-8-22-15/h1-8,10-11H,9H2,(H,19,20)
InChIKeyFCMDCMRHZDEBSC-UHFFFAOYSA-N
XLogP4.26
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(imidazol-1-ylmethyl)phenyl]-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(imidazol-1-ylmethyl)phenyl]-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine (CID 163214701) is N-[4-(imidazol-1-ylmethyl)phenyl]-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(imidazol-1-ylmethyl)phenyl]-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(imidazol-1-ylmethyl)phenyl]-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine is c1cn(Cc2ccc(Nc3nc(-c4nccs4)cs3)cc2)cn1.
What is the InChIKey of N-[4-(imidazol-1-ylmethyl)phenyl]-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The InChIKey is FCMDCMRHZDEBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5S2/c1-3-13(4-2-12(1)9-21-7-5-17-11-21)19-16-20-14(10-23-16)15-18-6-8-22-15/h1-8,10-11H,9H2,(H,19,20).
What are the key properties of N-[4-(imidazol-1-ylmethyl)phenyl]-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
N-[4-(imidazol-1-ylmethyl)phenyl]-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine has a molecular weight of 339.45 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(imidazol-1-ylmethyl)phenyl]-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 163214701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).