1-amino-3-[(6-methyl-3-pyridinyl)methyl]thiourea

C8H12N4S — CID 62997191

IUPAC1-amino-3-[(6-methyl-3-pyridinyl)methyl]thiourea
SMILESCc1ccc(CNC(=S)NN)cn1
InChIInChI=1S/C8H12N4S/c1-6-2-3-7(4-10-6)5-11-8(13)12-9/h2-4H,5,9H2,1H3,(H2,11,12,13)
InChIKeyHEWLTGVRTGMEGD-UHFFFAOYSA-N
MW196.28 g/mol
LogP0.23
Rot. Bonds2

About 1-amino-3-[(6-methyl-3-pyridinyl)methyl]thiourea

1-amino-3-[(6-methyl-3-pyridinyl)methyl]thiourea (PubChem CID 62997191) has the molecular formula C8H12N4S and a molecular weight of 196.28 g/mol. Its IUPAC name is 1-amino-3-[(6-methyl-3-pyridinyl)methyl]thiourea.

Molecular Properties

Compound Name1-amino-3-[(6-methyl-3-pyridinyl)methyl]thiourea
PubChem CID62997191
Molecular FormulaC8H12N4S
Molecular Weight196.28 g/mol
Exact Mass196.08
IUPAC Name1-amino-3-[(6-methyl-3-pyridinyl)methyl]thiourea
SMILESCc1ccc(CNC(=S)NN)cn1
InChIInChI=1S/C8H12N4S/c1-6-2-3-7(4-10-6)5-11-8(13)12-9/h2-4H,5,9H2,1H3,(H2,11,12,13)
InChIKeyHEWLTGVRTGMEGD-UHFFFAOYSA-N
XLogP0.23
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583859
1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583860
4-amino-N-[(6-methyl-3-pyridinyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 62997371
2-amino-N-[2-[(6-methyl-3-pyridinyl)methylamino]-2-oxoethyl]acetamide
CID 62073740
(2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 79023254
5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbothioamide
CID 115488572
2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]acetamide
CID 47043979
N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 175935774
4-hydrazinyl-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 63212635
2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62997308
6-methyl-2-[(6-methyl-3-pyridinyl)methylamino]pyrimidine-4-carbothioamide
CID 107547389
2-cyano-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 55211780

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(6-methyl-3-pyridinyl)methyl]thiourea?
The IUPAC name of 1-amino-3-[(6-methyl-3-pyridinyl)methyl]thiourea (CID 62997191) is 1-amino-3-[(6-methyl-3-pyridinyl)methyl]thiourea.
What is the SMILES notation for 1-amino-3-[(6-methyl-3-pyridinyl)methyl]thiourea?
The canonical SMILES for 1-amino-3-[(6-methyl-3-pyridinyl)methyl]thiourea is Cc1ccc(CNC(=S)NN)cn1.
What is the InChIKey of 1-amino-3-[(6-methyl-3-pyridinyl)methyl]thiourea?
The InChIKey is HEWLTGVRTGMEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4S/c1-6-2-3-7(4-10-6)5-11-8(13)12-9/h2-4H,5,9H2,1H3,(H2,11,12,13).
What are the key properties of 1-amino-3-[(6-methyl-3-pyridinyl)methyl]thiourea?
1-amino-3-[(6-methyl-3-pyridinyl)methyl]thiourea has a molecular weight of 196.28 g/mol, XLogP of 0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(6-methyl-3-pyridinyl)methyl]thiourea is sourced from PubChem (CID 62997191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).