1-naphthalen-1-yl-3-(propan-2-ylideneamino)thiourea

C14H15N3S — CID 15758488

IUPAC1-naphthalen-1-yl-3-(propan-2-ylideneamino)thiourea
SMILESCC(C)=NNC(=S)Nc1cccc2ccccc12
InChIInChI=1S/C14H15N3S/c1-10(2)16-17-14(18)15-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,1-2H3,(H2,15,17,18)
InChIKeyHKZRBRWVNHDVMX-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.52
Rot. Bonds2

About 1-naphthalen-1-yl-3-(propan-2-ylideneamino)thiourea

1-naphthalen-1-yl-3-(propan-2-ylideneamino)thiourea (PubChem CID 15758488) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-(propan-2-ylideneamino)thiourea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-(propan-2-ylideneamino)thiourea
PubChem CID15758488
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name1-naphthalen-1-yl-3-(propan-2-ylideneamino)thiourea
SMILESCC(C)=NNC(=S)Nc1cccc2ccccc12
InChIInChI=1S/C14H15N3S/c1-10(2)16-17-14(18)15-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,1-2H3,(H2,15,17,18)
InChIKeyHKZRBRWVNHDVMX-UHFFFAOYSA-N
XLogP3.52
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-naphthalen-1-yl-3-phenylthiourea
CID 828128
1-naphthalen-1-yl-3-[(1S)-1-phenylethyl]thiourea
CID 40546386
1-(3-fluoro-2-methylphenyl)-3-naphthalen-1-ylthiourea
CID 977420
N-(naphthalen-1-ylcarbamothioyl)butanamide
CID 916625
1-[(E)-(2,3-difluorophenyl)methylideneamino]-3-naphthalen-1-ylthiourea
CID 127026747
1-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylthiourea
CID 971903
1-(6-methylhept-5-enyl)-3-naphthalen-1-ylthiourea
CID 71392566
1-(4,6-dimethyl-2-pyridinyl)-3-naphthalen-1-ylthiourea
CID 971924
1-(2,3-dimethylphenyl)-3-(heptan-4-ylideneamino)thiourea
CID 18206200
1-naphthalen-1-yl-3-(pyridin-4-ylmethyl)thiourea
CID 2807327
N-[(Z)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]pentanamide
CID 171979194
1-naphthalen-1-yl-3-(2,3,5,6-tetrafluorophenyl)thiourea
CID 17298792

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-(propan-2-ylideneamino)thiourea?
The IUPAC name of 1-naphthalen-1-yl-3-(propan-2-ylideneamino)thiourea (CID 15758488) is 1-naphthalen-1-yl-3-(propan-2-ylideneamino)thiourea.
What is the SMILES notation for 1-naphthalen-1-yl-3-(propan-2-ylideneamino)thiourea?
The canonical SMILES for 1-naphthalen-1-yl-3-(propan-2-ylideneamino)thiourea is CC(C)=NNC(=S)Nc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-(propan-2-ylideneamino)thiourea?
The InChIKey is HKZRBRWVNHDVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-10(2)16-17-14(18)15-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,1-2H3,(H2,15,17,18).
What are the key properties of 1-naphthalen-1-yl-3-(propan-2-ylideneamino)thiourea?
1-naphthalen-1-yl-3-(propan-2-ylideneamino)thiourea has a molecular weight of 257.36 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-(propan-2-ylideneamino)thiourea is sourced from PubChem (CID 15758488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).