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

C7H10Cl2N4S — CID 14555426

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride
SMILESCl.NC1=NCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C7H9ClN4S.ClH/c8-6-11-3-5(13-6)4-12-2-1-10-7(12)9;/h3H,1-2,4H2,(H2,9,10);1H
InChIKeyFPASBNNTJFKSDC-UHFFFAOYSA-N
MW253.16 g/mol
LogP1.35
Rot. Bonds2

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

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride (PubChem CID 14555426) has the molecular formula C7H10Cl2N4S and a molecular weight of 253.16 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride
PubChem CID14555426
Molecular FormulaC7H10Cl2N4S
Molecular Weight253.16 g/mol
Exact Mass252.00
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride
SMILESCl.NC1=NCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C7H9ClN4S.ClH/c8-6-11-3-5(13-6)4-12-2-1-10-7(12)9;/h3H,1-2,4H2,(H2,9,10);1H
InChIKeyFPASBNNTJFKSDC-UHFFFAOYSA-N
XLogP1.35
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.16
LogP ≤ 51.35
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;hydrochloride?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride (CID 14555426) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride is Cl.NC1=NCCN1Cc1cnc(Cl)s1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride?
The InChIKey is FPASBNNTJFKSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4S.ClH/c8-6-11-3-5(13-6)4-12-2-1-10-7(12)9;/h3H,1-2,4H2,(H2,9,10);1H.
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride has a molecular weight of 253.16 g/mol, XLogP of 1.35, 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;hydrochloride is sourced from PubChem (CID 14555426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).