N-[4-[3-[4-(diaminomethylideneamino)phenyl]propyl]-1,3-thiazol-2-yl]acetamide;hydrochloride

C15H20ClN5OS — CID 71525100

IUPACN-[4-[3-[4-(diaminomethylideneamino)phenyl]propyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1nc(CCCc2ccc(N=C(N)N)cc2)cs1.Cl
InChIInChI=1S/C15H19N5OS.ClH/c1-10(21)18-15-20-13(9-22-15)4-2-3-11-5-7-12(8-6-11)19-14(16)17;/h5-9H,2-4H2,1H3,(H4,16,17,19)(H,18,20,21);1H
InChIKeyZHBNEDDXTRSRFM-UHFFFAOYSA-N
MW353.88 g/mol
LogP2.60
Rot. Bonds6

About N-[4-[3-[4-(diaminomethylideneamino)phenyl]propyl]-1,3-thiazol-2-yl]acetamide;hydrochloride

N-[4-[3-[4-(diaminomethylideneamino)phenyl]propyl]-1,3-thiazol-2-yl]acetamide;hydrochloride (PubChem CID 71525100) has the molecular formula C15H20ClN5OS and a molecular weight of 353.88 g/mol. Its IUPAC name is N-[4-[3-[4-(diaminomethylideneamino)phenyl]propyl]-1,3-thiazol-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[3-[4-(diaminomethylideneamino)phenyl]propyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
PubChem CID71525100
Molecular FormulaC15H20ClN5OS
Molecular Weight353.88 g/mol
Exact Mass353.11
IUPAC NameN-[4-[3-[4-(diaminomethylideneamino)phenyl]propyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1nc(CCCc2ccc(N=C(N)N)cc2)cs1.Cl
InChIInChI=1S/C15H19N5OS.ClH/c1-10(21)18-15-20-13(9-22-15)4-2-3-11-5-7-12(8-6-11)19-14(16)17;/h5-9H,2-4H2,1H3,(H4,16,17,19)(H,18,20,21);1H
InChIKeyZHBNEDDXTRSRFM-UHFFFAOYSA-N
XLogP2.60
TPSA106.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(diaminomethylideneamino)phenyl]propyl]-1,3-thiazol-2-yl]acetamide;hydrochloride?
The IUPAC name of N-[4-[3-[4-(diaminomethylideneamino)phenyl]propyl]-1,3-thiazol-2-yl]acetamide;hydrochloride (CID 71525100) is N-[4-[3-[4-(diaminomethylideneamino)phenyl]propyl]-1,3-thiazol-2-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[3-[4-(diaminomethylideneamino)phenyl]propyl]-1,3-thiazol-2-yl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[3-[4-(diaminomethylideneamino)phenyl]propyl]-1,3-thiazol-2-yl]acetamide;hydrochloride is CC(=O)Nc1nc(CCCc2ccc(N=C(N)N)cc2)cs1.Cl.
What is the InChIKey of N-[4-[3-[4-(diaminomethylideneamino)phenyl]propyl]-1,3-thiazol-2-yl]acetamide;hydrochloride?
The InChIKey is ZHBNEDDXTRSRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS.ClH/c1-10(21)18-15-20-13(9-22-15)4-2-3-11-5-7-12(8-6-11)19-14(16)17;/h5-9H,2-4H2,1H3,(H4,16,17,19)(H,18,20,21);1H.
What are the key properties of N-[4-[3-[4-(diaminomethylideneamino)phenyl]propyl]-1,3-thiazol-2-yl]acetamide;hydrochloride?
N-[4-[3-[4-(diaminomethylideneamino)phenyl]propyl]-1,3-thiazol-2-yl]acetamide;hydrochloride has a molecular weight of 353.88 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-(diaminomethylideneamino)phenyl]propyl]-1,3-thiazol-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 71525100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).