1-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]-3-methylthiourea

C7H10N6S — CID 12978434

IUPAC1-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]-3-methylthiourea
SMILESCNC(=S)N/N=C(\N)c1cnccn1
InChIInChI=1S/C7H10N6S/c1-9-7(14)13-12-6(8)5-4-10-2-3-11-5/h2-4H,1H3,(H2,8,12)(H2,9,13,14)
InChIKeyYSXWQFIPGZNVGB-UHFFFAOYSA-N
MW210.27 g/mol
LogP-0.81
Rot. Bonds2

About 1-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]-3-methylthiourea

1-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]-3-methylthiourea (PubChem CID 12978434) has the molecular formula C7H10N6S and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]-3-methylthiourea.

Molecular Properties

Compound Name1-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]-3-methylthiourea
PubChem CID12978434
Molecular FormulaC7H10N6S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Name1-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]-3-methylthiourea
SMILESCNC(=S)N/N=C(\N)c1cnccn1
InChIInChI=1S/C7H10N6S/c1-9-7(14)13-12-6(8)5-4-10-2-3-11-5/h2-4H,1H3,(H2,8,12)(H2,9,13,14)
InChIKeyYSXWQFIPGZNVGB-UHFFFAOYSA-N
XLogP-0.81
TPSA88.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 5-0.81
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]-3-methylthiourea?
The IUPAC name of 1-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]-3-methylthiourea (CID 12978434) is 1-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]-3-methylthiourea.
What is the SMILES notation for 1-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]-3-methylthiourea?
The canonical SMILES for 1-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]-3-methylthiourea is CNC(=S)N/N=C(\N)c1cnccn1.
What is the InChIKey of 1-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]-3-methylthiourea?
The InChIKey is YSXWQFIPGZNVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6S/c1-9-7(14)13-12-6(8)5-4-10-2-3-11-5/h2-4H,1H3,(H2,8,12)(H2,9,13,14).
What are the key properties of 1-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]-3-methylthiourea?
1-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]-3-methylthiourea has a molecular weight of 210.27 g/mol, XLogP of -0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]-3-methylthiourea is sourced from PubChem (CID 12978434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).