1-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-propan-2-ylthiourea

C15H21N3OS — CID 8978994

IUPAC1-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-propan-2-ylthiourea
SMILESCOc1ccc2c(c1)CCCC2=NNC(=S)NC(C)C
InChIInChI=1S/C15H21N3OS/c1-10(2)16-15(20)18-17-14-6-4-5-11-9-12(19-3)7-8-13(11)14/h7-10H,4-6H2,1-3H3,(H2,16,18,20)
InChIKeyJHDUGGLIPSOSBP-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.61
Rot. Bonds3

About 1-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-propan-2-ylthiourea

1-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-propan-2-ylthiourea (PubChem CID 8978994) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-propan-2-ylthiourea.

Molecular Properties

Compound Name1-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-propan-2-ylthiourea
PubChem CID8978994
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name1-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-propan-2-ylthiourea
SMILESCOc1ccc2c(c1)CCCC2=NNC(=S)NC(C)C
InChIInChI=1S/C15H21N3OS/c1-10(2)16-15(20)18-17-14-6-4-5-11-9-12(19-3)7-8-13(11)14/h7-10H,4-6H2,1-3H3,(H2,16,18,20)
InChIKeyJHDUGGLIPSOSBP-UHFFFAOYSA-N
XLogP2.61
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea
CID 2807504
[(E)-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]thiourea
CID 71602930
N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylaniline
CID 6076381
N-[(Z)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883708
4-bromo-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide
CID 9121006
N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-nitroaniline
CID 9059234
ethyl 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carboxylate
CID 2807544
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]acetamide
CID 43879777
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine
CID 11440428
N-[(5-methoxy-2,3-dihydroinden-1-ylidene)amino]-2-naphthalen-1-ylacetamide
CID 5091527
ethyl 2-[2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazol-5-yl]acetate
CID 2807524

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-propan-2-ylthiourea?
The IUPAC name of 1-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-propan-2-ylthiourea (CID 8978994) is 1-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-propan-2-ylthiourea.
What is the SMILES notation for 1-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-propan-2-ylthiourea?
The canonical SMILES for 1-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-propan-2-ylthiourea is COc1ccc2c(c1)CCCC2=NNC(=S)NC(C)C.
What is the InChIKey of 1-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-propan-2-ylthiourea?
The InChIKey is JHDUGGLIPSOSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-10(2)16-15(20)18-17-14-6-4-5-11-9-12(19-3)7-8-13(11)14/h7-10H,4-6H2,1-3H3,(H2,16,18,20).
What are the key properties of 1-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-propan-2-ylthiourea?
1-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-propan-2-ylthiourea has a molecular weight of 291.42 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-propan-2-ylthiourea is sourced from PubChem (CID 8978994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).