(Z)-3-amino-3-(4-chlorophenyl)-2-methylprop-2-enethioamide

C10H11ClN2S — CID 87300600

IUPAC(Z)-3-amino-3-(4-chlorophenyl)-2-methylprop-2-enethioamide
SMILESC/C(C(N)=S)=C(/N)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2S/c1-6(10(13)14)9(12)7-2-4-8(11)5-3-7/h2-5H,12H2,1H3,(H2,13,14)/b9-6-
InChIKeyDIZJBZGPIQUYSM-TWGQIWQCSA-N
MW226.73 g/mol
LogP2.32
Rot. Bonds2

About (Z)-3-amino-3-(4-chlorophenyl)-2-methylprop-2-enethioamide

(Z)-3-amino-3-(4-chlorophenyl)-2-methylprop-2-enethioamide (PubChem CID 87300600) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is (Z)-3-amino-3-(4-chlorophenyl)-2-methylprop-2-enethioamide.

Molecular Properties

Compound Name(Z)-3-amino-3-(4-chlorophenyl)-2-methylprop-2-enethioamide
PubChem CID87300600
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC Name(Z)-3-amino-3-(4-chlorophenyl)-2-methylprop-2-enethioamide
SMILESC/C(C(N)=S)=C(/N)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2S/c1-6(10(13)14)9(12)7-2-4-8(11)5-3-7/h2-5H,12H2,1H3,(H2,13,14)/b9-6-
InChIKeyDIZJBZGPIQUYSM-TWGQIWQCSA-N
XLogP2.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-amino-2-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)prop-2-enethioamide
CID 143054492
2-(4-chlorophenyl)-2-iminoethanethioamide
CID 142642953
1-[4-(4-chlorobenzenecarbothioyl)piperazin-1-yl]ethanone
CID 2918695
1-(4-chlorophenyl)ethenamine
CID 122642948
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
methyl (Z)-3-amino-3-(4-fluorophenyl)-2-methylprop-2-enedithioate
CID 101473317
N-[1-(4-chlorophenyl)ethenyl]ethanethioamide
CID 142841498
[amino-(4-chlorophenyl)methylidene]azanium chloride
CID 10888750
1-[(4-chlorobenzoyl)amino]-1-methylthiourea
CID 165352837
(4-chlorophenyl)-(4-propan-2-ylphenyl)methanethione
CID 54470257
1-(4-chlorophenyl)-1-(propan-2-ylideneamino)thiourea
CID 22302589

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-3-(4-chlorophenyl)-2-methylprop-2-enethioamide?
The IUPAC name of (Z)-3-amino-3-(4-chlorophenyl)-2-methylprop-2-enethioamide (CID 87300600) is (Z)-3-amino-3-(4-chlorophenyl)-2-methylprop-2-enethioamide.
What is the SMILES notation for (Z)-3-amino-3-(4-chlorophenyl)-2-methylprop-2-enethioamide?
The canonical SMILES for (Z)-3-amino-3-(4-chlorophenyl)-2-methylprop-2-enethioamide is C/C(C(N)=S)=C(/N)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-3-amino-3-(4-chlorophenyl)-2-methylprop-2-enethioamide?
The InChIKey is DIZJBZGPIQUYSM-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H11ClN2S/c1-6(10(13)14)9(12)7-2-4-8(11)5-3-7/h2-5H,12H2,1H3,(H2,13,14)/b9-6-.
What are the key properties of (Z)-3-amino-3-(4-chlorophenyl)-2-methylprop-2-enethioamide?
(Z)-3-amino-3-(4-chlorophenyl)-2-methylprop-2-enethioamide has a molecular weight of 226.73 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-3-(4-chlorophenyl)-2-methylprop-2-enethioamide is sourced from PubChem (CID 87300600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).