1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-amine

C7H9ClN4S — CID 14555425

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-amine
SMILESNC1=NCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C7H9ClN4S/c8-6-11-3-5(13-6)4-12-2-1-10-7(12)9/h3H,1-2,4H2,(H2,9,10)
InChIKeyHEGJXUAZAMFDKB-UHFFFAOYSA-N
MW216.70 g/mol
LogP0.93
Rot. Bonds2

About 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-amine

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-amine (PubChem CID 14555425) has the molecular formula C7H9ClN4S and a molecular weight of 216.70 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-amine
PubChem CID14555425
Molecular FormulaC7H9ClN4S
Molecular Weight216.70 g/mol
Exact Mass216.02
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-amine
SMILESNC1=NCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C7H9ClN4S/c8-6-11-3-5(13-6)4-12-2-1-10-7(12)9/h3H,1-2,4H2,(H2,9,10)
InChIKeyHEGJXUAZAMFDKB-UHFFFAOYSA-N
XLogP0.93
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.70
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-amine (CID 14555425) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-amine is NC1=NCCN1Cc1cnc(Cl)s1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is HEGJXUAZAMFDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4S/c8-6-11-3-5(13-6)4-12-2-1-10-7(12)9/h3H,1-2,4H2,(H2,9,10).
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-amine?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 216.70 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 14555425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).