N-[[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine

C13H16N4S2 — CID 139763051

IUPACN-[[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1cc(NC2=NCCS2)ccc1CNC1=NCCS1
InChIInChI=1S/C13H16N4S2/c1-3-11(17-13-15-6-8-19-13)4-2-10(1)9-16-12-14-5-7-18-12/h1-4H,5-9H2,(H,14,16)(H,15,17)
InChIKeyYDHOCFKUGRKEBP-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.39
Rot. Bonds3

About N-[[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine

N-[[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 139763051) has the molecular formula C13H16N4S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID139763051
Molecular FormulaC13H16N4S2
Molecular Weight292.43 g/mol
Exact Mass292.08
IUPAC NameN-[[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1cc(NC2=NCCS2)ccc1CNC1=NCCS1
InChIInChI=1S/C13H16N4S2/c1-3-11(17-13-15-6-8-19-13)4-2-10(1)9-16-12-14-5-7-18-12/h1-4H,5-9H2,(H,14,16)(H,15,17)
InChIKeyYDHOCFKUGRKEBP-UHFFFAOYSA-N
XLogP2.39
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 139763051) is N-[[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine is c1cc(NC2=NCCS2)ccc1CNC1=NCCS1.
What is the InChIKey of N-[[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is YDHOCFKUGRKEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S2/c1-3-11(17-13-15-6-8-19-13)4-2-10(1)9-16-12-14-5-7-18-12/h1-4H,5-9H2,(H,14,16)(H,15,17).
What are the key properties of N-[[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 292.43 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 139763051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).