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

C11H15Cl2N7OS — CID 18953932

IUPAC[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;dihydrochloride
SMILESCl.Cl.NC(=O)NCc1cccc(-c2csc(N=C(N)N)n2)n1
InChIInChI=1S/C11H13N7OS.2ClH/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);2*1H
InChIKeyXYUZOXORVNLIKF-UHFFFAOYSA-N
MW364.26 g/mol
LogP1.12
Rot. Bonds4

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

[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;dihydrochloride (PubChem CID 18953932) has the molecular formula C11H15Cl2N7OS and a molecular weight of 364.26 g/mol. Its IUPAC name is [6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;dihydrochloride.

Molecular Properties

Compound Name[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;dihydrochloride
PubChem CID18953932
Molecular FormulaC11H15Cl2N7OS
Molecular Weight364.26 g/mol
Exact Mass363.04
IUPAC Name[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;dihydrochloride
SMILESCl.Cl.NC(=O)NCc1cccc(-c2csc(N=C(N)N)n2)n1
InChIInChI=1S/C11H13N7OS.2ClH/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);2*1H
InChIKeyXYUZOXORVNLIKF-UHFFFAOYSA-N
XLogP1.12
TPSA145.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 51.12
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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Related Compounds

N-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]-2,2,2-trifluoroacetamide
CID 10382866
2-[4-[6-[[[(E)-1-(methylamino)-2-nitroethenyl]amino]methyl]-2-pyridinyl]-1,3-thiazol-2-yl]guanidine;hydrochloride
CID 45265330
[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methylurea
CID 19439678
6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pyridine-2-carboxamide;hydrochloride
CID 18953863
N-[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide;hydrochloride
CID 45262727
N-[[6-[2-[(E)-[amino(morpholin-4-yl)methylidene]amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide
CID 18956295
2-[4-(6-amino-2-pyridinyl)-1,3-thiazol-2-yl]guanidine;dihydrochloride
CID 18953872
N-[[2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-4-pyridinyl]methyl]acetamide;dihydrochloride
CID 18953876
methyl N-[[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methyl]carbamate
CID 19439677
N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 10661107
1-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]-3-propan-2-ylurea
CID 18953937
2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
CID 18322948

Frequently Asked Questions

What is the IUPAC name of [6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;dihydrochloride?
The IUPAC name of [6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;dihydrochloride (CID 18953932) is [6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;dihydrochloride.
What is the SMILES notation for [6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;dihydrochloride?
The canonical SMILES for [6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;dihydrochloride is Cl.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;dihydrochloride?
The InChIKey is XYUZOXORVNLIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7OS.2ClH/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);2*1H.
What are the key properties of [6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;dihydrochloride?
[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;dihydrochloride has a molecular weight of 364.26 g/mol, XLogP of 1.12, 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;dihydrochloride is sourced from PubChem (CID 18953932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).