[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;hydrochloride

C11H14ClN7OS — CID 45262705

IUPAC[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;hydrochloride
SMILESCl.NC(=O)NCc1cccc(-c2csc(N=C(N)N)n2)n1
InChIInChI=1S/C11H13N7OS.ClH/c12-9(13)18-11-17-8(5-20-11)7-3-1-2-6(16-7)4-15-10(14)19;/h1-3,5H,4H2,(H3,14,15,19)(H4,12,13,17,18);1H
InChIKeyZTWWBWYLUIKHTD-UHFFFAOYSA-N
MW327.80 g/mol
LogP0.70
Rot. Bonds4

About [6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;hydrochloride

[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;hydrochloride (PubChem CID 45262705) has the molecular formula C11H14ClN7OS and a molecular weight of 327.80 g/mol. Its IUPAC name is [6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;hydrochloride.

Molecular Properties

Compound Name[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;hydrochloride
PubChem CID45262705
Molecular FormulaC11H14ClN7OS
Molecular Weight327.80 g/mol
Exact Mass327.07
IUPAC Name[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;hydrochloride
SMILESCl.NC(=O)NCc1cccc(-c2csc(N=C(N)N)n2)n1
InChIInChI=1S/C11H13N7OS.ClH/c12-9(13)18-11-17-8(5-20-11)7-3-1-2-6(16-7)4-15-10(14)19;/h1-3,5H,4H2,(H3,14,15,19)(H4,12,13,17,18);1H
InChIKeyZTWWBWYLUIKHTD-UHFFFAOYSA-N
XLogP0.70
TPSA145.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.80
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 [6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;hydrochloride?
The IUPAC name of [6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;hydrochloride (CID 45262705) is [6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;hydrochloride.
What is the SMILES notation for [6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;hydrochloride?
The canonical SMILES for [6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;hydrochloride is Cl.NC(=O)NCc1cccc(-c2csc(N=C(N)N)n2)n1.
What is the InChIKey of [6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;hydrochloride?
The InChIKey is ZTWWBWYLUIKHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7OS.ClH/c12-9(13)18-11-17-8(5-20-11)7-3-1-2-6(16-7)4-15-10(14)19;/h1-3,5H,4H2,(H3,14,15,19)(H4,12,13,17,18);1H.
What are the key properties of [6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;hydrochloride?
[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;hydrochloride has a molecular weight of 327.80 g/mol, XLogP of 0.70, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;hydrochloride is sourced from PubChem (CID 45262705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).