1-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea

C11H15N3S — CID 62304428

IUPAC1-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
SMILESNNC(=S)NC1CCCc2ccccc21
InChIInChI=1S/C11H15N3S/c12-14-11(15)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7,12H2,(H2,13,14,15)
InChIKeyYPLGIKXNRITIAO-UHFFFAOYSA-N
MW221.33 g/mol
LogP1.40
Rot. Bonds1

About 1-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea

1-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea (PubChem CID 62304428) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 1-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea.

Molecular Properties

Compound Name1-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
PubChem CID62304428
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name1-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
SMILESNNC(=S)NC1CCCc2ccccc21
InChIInChI=1S/C11H15N3S/c12-14-11(15)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7,12H2,(H2,13,14,15)
InChIKeyYPLGIKXNRITIAO-UHFFFAOYSA-N
XLogP1.40
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(4-chlorophenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 8669333
1-propyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 8669343
1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 6596704
1-prop-2-enyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 4997238
1-butyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 7744929
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
1-(3,4-difluorophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 133214458
1-(2-ethylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 19652717
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 100641487
1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 19652714
1-(2-propan-2-ylphenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 2441518
1-(1-methoxypropan-2-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 46800324

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea?
The IUPAC name of 1-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea (CID 62304428) is 1-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea.
What is the SMILES notation for 1-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea?
The canonical SMILES for 1-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea is NNC(=S)NC1CCCc2ccccc21.
What is the InChIKey of 1-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea?
The InChIKey is YPLGIKXNRITIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c12-14-11(15)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7,12H2,(H2,13,14,15).
What are the key properties of 1-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea?
1-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea has a molecular weight of 221.33 g/mol, XLogP of 1.40, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea is sourced from PubChem (CID 62304428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).