1-[1-(4-methoxyphenyl)ethenylamino]-3-propan-2-ylthiourea

C13H19N3OS — CID 2489701

IUPAC1-[1-(4-methoxyphenyl)ethenylamino]-3-propan-2-ylthiourea
SMILESC=C(NNC(=S)NC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C13H19N3OS/c1-9(2)14-13(18)16-15-10(3)11-5-7-12(17-4)8-6-11/h5-9,15H,3H2,1-2,4H3,(H2,14,16,18)
InChIKeyONGUUKSZZCTWKS-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.04
Rot. Bonds5

About 1-[1-(4-methoxyphenyl)ethenylamino]-3-propan-2-ylthiourea

1-[1-(4-methoxyphenyl)ethenylamino]-3-propan-2-ylthiourea (PubChem CID 2489701) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)ethenylamino]-3-propan-2-ylthiourea.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)ethenylamino]-3-propan-2-ylthiourea
PubChem CID2489701
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name1-[1-(4-methoxyphenyl)ethenylamino]-3-propan-2-ylthiourea
SMILESC=C(NNC(=S)NC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C13H19N3OS/c1-9(2)14-13(18)16-15-10(3)11-5-7-12(17-4)8-6-11/h5-9,15H,3H2,1-2,4H3,(H2,14,16,18)
InChIKeyONGUUKSZZCTWKS-UHFFFAOYSA-N
XLogP2.04
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.04
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

1-propan-2-yl-3-[1-(3,4,5-trimethoxyphenyl)ethenylamino]thiourea
CID 2470145
1-(4-methoxyphenyl)-3-propan-2-ylthiourea;sulfane
CID 159797828
1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene
CID 100960960
1-propan-2-yl-3-[(4-propan-2-yloxybenzoyl)amino]thiourea
CID 7978085
N-[3-[1-[2-(propan-2-ylcarbamothioyl)hydrazinyl]ethenyl]phenyl]acetamide
CID 2341738
N-[1-(4-methoxyphenyl)ethenyl]formamide
CID 14117206
1-(4-methoxyphenyl)-1-methyl-3-propan-2-ylthiourea
CID 116508181
N'-[1-(4-aminophenyl)ethenyl]-2-(4-methoxyphenyl)acetohydrazide
CID 4087275
1-[(4-methoxyphenyl)methyl]-2-[1-(4-methylphenyl)ethenyl]hydrazine
CID 166825071
N'-[1-(4-methoxyphenyl)ethenyl]pyridine-3-carbohydrazide
CID 4744370
N-hydroxy-4-methoxybenzenecarbothioamide
CID 12637483
1-(3,3-difluoroprop-1-en-2-yl)-4-methoxybenzene
CID 169086546

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)ethenylamino]-3-propan-2-ylthiourea?
The IUPAC name of 1-[1-(4-methoxyphenyl)ethenylamino]-3-propan-2-ylthiourea (CID 2489701) is 1-[1-(4-methoxyphenyl)ethenylamino]-3-propan-2-ylthiourea.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)ethenylamino]-3-propan-2-ylthiourea?
The canonical SMILES for 1-[1-(4-methoxyphenyl)ethenylamino]-3-propan-2-ylthiourea is C=C(NNC(=S)NC(C)C)c1ccc(OC)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)ethenylamino]-3-propan-2-ylthiourea?
The InChIKey is ONGUUKSZZCTWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-9(2)14-13(18)16-15-10(3)11-5-7-12(17-4)8-6-11/h5-9,15H,3H2,1-2,4H3,(H2,14,16,18).
What are the key properties of 1-[1-(4-methoxyphenyl)ethenylamino]-3-propan-2-ylthiourea?
1-[1-(4-methoxyphenyl)ethenylamino]-3-propan-2-ylthiourea has a molecular weight of 265.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)ethenylamino]-3-propan-2-ylthiourea is sourced from PubChem (CID 2489701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).