(pyridin-3-ylamino)thiourea

C6H8N4S — CID 3571447

IUPAC(pyridin-3-ylamino)thiourea
SMILESNC(=S)NNc1cccnc1
InChIInChI=1S/C6H8N4S/c7-6(11)10-9-5-2-1-3-8-4-5/h1-4,9H,(H3,7,10,11)
InChIKeyXGFCHSKKTOWRCB-UHFFFAOYSA-N
MW168.23 g/mol
LogP0.24
Rot. Bonds2

About (pyridin-3-ylamino)thiourea

(pyridin-3-ylamino)thiourea (PubChem CID 3571447) has the molecular formula C6H8N4S and a molecular weight of 168.23 g/mol. Its IUPAC name is (pyridin-3-ylamino)thiourea.

Molecular Properties

Compound Name(pyridin-3-ylamino)thiourea
PubChem CID3571447
Molecular FormulaC6H8N4S
Molecular Weight168.23 g/mol
Exact Mass168.05
IUPAC Name(pyridin-3-ylamino)thiourea
SMILESNC(=S)NNc1cccnc1
InChIInChI=1S/C6H8N4S/c7-6(11)10-9-5-2-1-3-8-4-5/h1-4,9H,(H3,7,10,11)
InChIKeyXGFCHSKKTOWRCB-UHFFFAOYSA-N
XLogP0.24
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.23
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

pyridin-3-ylthiourea
CID 2760515
(1-pyridin-3-ylethenylamino)thiourea
CID 4661385
1-bromo-2-pyridin-3-ylhydrazine
CID 142776017
(pyridin-3-ylmethylamino)thiourea;hydrochloride
CID 21152363
(2S)-3-amino-2-(pyridin-3-ylamino)-3-sulfanylidenepropanamide
CID 92864041
N-fluoropyridin-3-amine
CID 141274626
N'-pyridin-3-yladamantane-1-carbohydrazide
CID 24865008
ethane;N-methylpyridin-3-amine
CID 91430147
azane;N-methylpyridin-3-amine
CID 70247108
1-anilino-3-pyridin-3-ylurea
CID 47127655
(3-fluoroanilino)thiourea
CID 1482872
molecular hydrogen;N-pyridin-3-ylethanethioamide
CID 143306027

Frequently Asked Questions

What is the IUPAC name of (pyridin-3-ylamino)thiourea?
The IUPAC name of (pyridin-3-ylamino)thiourea (CID 3571447) is (pyridin-3-ylamino)thiourea.
What is the SMILES notation for (pyridin-3-ylamino)thiourea?
The canonical SMILES for (pyridin-3-ylamino)thiourea is NC(=S)NNc1cccnc1.
What is the InChIKey of (pyridin-3-ylamino)thiourea?
The InChIKey is XGFCHSKKTOWRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4S/c7-6(11)10-9-5-2-1-3-8-4-5/h1-4,9H,(H3,7,10,11).
What are the key properties of (pyridin-3-ylamino)thiourea?
(pyridin-3-ylamino)thiourea has a molecular weight of 168.23 g/mol, XLogP of 0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (pyridin-3-ylamino)thiourea is sourced from PubChem (CID 3571447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).